(2s)-2-amino-4-methylsulfanylbutanoic acid
Molecule Viewer
Thermodynamics at 298.15 K and standard pressure
| Enthalpy | ||
| Property | Value | Unit |
| Translational | 6.20 | kJ mol-1 |
| Rotational | 3.72 | kJ mol-1 |
| Vibrational | 450.49 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 460.41 | kJ mol-1 |
| Heat Capacity at Constant Pressure | ||
| Property | Value | Unit |
| Translational | 20.79 | J mol-1 K-1 |
| Rotational | 12.47 | J mol-1 K-1 |
| Vibrational | 141.97 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 175.23 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 171.16 | J mol-1 K-1 |
| Rotational | 127.26 | J mol-1 K-1 |
| Vibrational | 172.11 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 470.53 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -419.76 | kJ mol-1 |
Molecular Orbitals
- 1 -2473.07 eV View
- 2 -552.21 eV View
- 3 -550.87 eV View
- 4 -416.97 eV View
- 5 -303.99 eV View
- 6 -302.32 eV View
- 7 -301.72 eV View
- 8 -301.40 eV View
- 9 -301.25 eV View
- 10 -238.44 eV View
- 11 -174.13 eV View
- 12 -174.06 eV View
- 13 -173.97 eV View
- 14 -37.75 eV View
- 15 -34.49 eV View
- 16 -31.38 eV View
- 17 -28.54 eV View
- 18 -26.77 eV View
- 19 -24.93 eV View
- 20 -22.45 eV View
- 21 -20.72 eV View
- 22 -19.62 eV View
- 23 -17.99 eV View
- 24 -16.84 eV View
- 25 -16.00 eV View
- 26 -15.86 eV View
- 27 -15.59 eV View
- 28 -15.23 eV View
- 29 -15.16 eV View
- 30 -14.08 eV View
- 31 -13.94 eV View
- 32 -13.74 eV View
- 33 -12.64 eV View
- 34 -12.39 eV View
- 35 -11.80 eV View
- 36 -10.29 eV View
- 37 -9.47 eV View
- 38 -9.33 eV View
- 39 -8.85 eV View
- 40 -7.96 eV View
- 41 8.34 eV View
- 42 10.87 eV View
- 43 11.70 eV View
- 44 14.60 eV View
- 45 15.13 eV View
- 46 16.48 eV View
- 47 17.29 eV View
- 48 17.42 eV View
- 49 18.20 eV View
- 50 18.30 eV View
- 51 18.42 eV View
- 52 18.93 eV View
- 53 19.16 eV View
- 54 19.52 eV View
- 55 19.68 eV View
- 56 20.07 eV View
- 57 20.80 eV View
- 58 21.34 eV View
- 59 22.14 eV View
- 60 27.29 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 15.82 cm-1 View
- 2 36.73 cm-1 View
- 3 48.41 cm-1 View
- 4 80.54 cm-1 View
- 5 108.81 cm-1 View
- 6 126.82 cm-1 View
- 7 195.62 cm-1 View
- 8 238.67 cm-1 View
- 9 255.37 cm-1 View
- 10 295.96 cm-1 View
- 11 329.22 cm-1 View
- 12 350.36 cm-1 View
- 13 486.43 cm-1 View
- 14 524.66 cm-1 View
- 15 584.28 cm-1 View
- 16 697.95 cm-1 View
- 17 748.84 cm-1 View
- 18 774.90 cm-1 View
- 19 784.73 cm-1 View
- 20 898.21 cm-1 View
- 21 922.80 cm-1 View
- 22 929.69 cm-1 View
- 23 957.06 cm-1 View
- 24 1015.10 cm-1 View
- 25 1034.35 cm-1 View
- 26 1071.69 cm-1 View
- 27 1108.41 cm-1 View
- 28 1136.53 cm-1 View
- 29 1147.59 cm-1 View
- 30 1170.93 cm-1 View
- 31 1198.79 cm-1 View
- 32 1242.51 cm-1 View
- 33 1249.97 cm-1 View
- 34 1281.00 cm-1 View
- 35 1329.93 cm-1 View
- 36 1345.83 cm-1 View
- 37 1380.67 cm-1 View
- 38 1382.00 cm-1 View
- 39 1392.83 cm-1 View
- 40 1402.81 cm-1 View
- 41 1448.38 cm-1 View
- 42 1659.87 cm-1 View
- 43 1975.31 cm-1 View
- 44 2844.92 cm-1 View
- 45 2946.99 cm-1 View
- 46 2975.02 cm-1 View
- 47 3026.78 cm-1 View
- 48 3050.35 cm-1 View
- 49 3104.31 cm-1 View
- 50 3106.10 cm-1 View
- 51 3199.89 cm-1 View
- 52 3385.86 cm-1 View
- 53 3515.80 cm-1 View
- 54 3850.50 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -11.16 | kJ mol-1 |
| Polar Solvation Energy | -41.08 | kJ mol-1 |
| Nonpolar Solvation Energy | 29.93 | kJ mol-1 |
| Surface Area | 139.23 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 3.65 | Debye |