(2s)-2-amino-3-sulfanylpropanoic 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 | 286.52 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 296.44 | 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 | 99.31 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 132.57 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 168.56 | J mol-1 K-1 |
| Rotational | 118.90 | J mol-1 K-1 |
| Vibrational | 94.26 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 381.72 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -369.24 | kJ mol-1 |
Molecular Orbitals
- 1 -2473.50 eV View
- 2 -552.44 eV View
- 3 -551.14 eV View
- 4 -417.05 eV View
- 5 -304.16 eV View
- 6 -302.66 eV View
- 7 -302.02 eV View
- 8 -238.89 eV View
- 9 -174.59 eV View
- 10 -174.50 eV View
- 11 -174.41 eV View
- 12 -38.00 eV View
- 13 -34.69 eV View
- 14 -31.49 eV View
- 15 -27.77 eV View
- 16 -25.01 eV View
- 17 -22.36 eV View
- 18 -20.05 eV View
- 19 -17.46 eV View
- 20 -16.84 eV View
- 21 -16.35 eV View
- 22 -15.86 eV View
- 23 -15.11 eV View
- 24 -14.67 eV View
- 25 -13.96 eV View
- 26 -13.04 eV View
- 27 -12.31 eV View
- 28 -10.96 eV View
- 29 -9.76 eV View
- 30 -9.58 eV View
- 31 -9.12 eV View
- 32 -8.64 eV View
- 33 8.14 eV View
- 34 10.55 eV View
- 35 12.90 eV View
- 36 14.54 eV View
- 37 15.26 eV View
- 38 16.68 eV View
- 39 17.20 eV View
- 40 18.01 eV View
- 41 18.98 eV View
- 42 19.35 eV View
- 43 20.19 eV View
- 44 21.11 eV View
- 45 21.69 eV View
- 46 26.76 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 39.14 cm-1 View
- 2 91.04 cm-1 View
- 3 193.57 cm-1 View
- 4 231.30 cm-1 View
- 5 234.80 cm-1 View
- 6 261.71 cm-1 View
- 7 285.93 cm-1 View
- 8 365.15 cm-1 View
- 9 463.91 cm-1 View
- 10 524.20 cm-1 View
- 11 608.77 cm-1 View
- 12 689.52 cm-1 View
- 13 703.72 cm-1 View
- 14 788.28 cm-1 View
- 15 842.48 cm-1 View
- 16 974.25 cm-1 View
- 17 1019.09 cm-1 View
- 18 1043.59 cm-1 View
- 19 1074.71 cm-1 View
- 20 1110.76 cm-1 View
- 21 1142.75 cm-1 View
- 22 1225.29 cm-1 View
- 23 1237.11 cm-1 View
- 24 1249.93 cm-1 View
- 25 1290.23 cm-1 View
- 26 1370.07 cm-1 View
- 27 1437.15 cm-1 View
- 28 1654.11 cm-1 View
- 29 1683.17 cm-1 View
- 30 1976.77 cm-1 View
- 31 2826.62 cm-1 View
- 32 2967.44 cm-1 View
- 33 3050.67 cm-1 View
- 34 3382.71 cm-1 View
- 35 3514.11 cm-1 View
- 36 3846.87 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -14.32 | kJ mol-1 |
| Polar Solvation Energy | -33.34 | kJ mol-1 |
| Nonpolar Solvation Energy | 19.02 | kJ mol-1 |
| Surface Area | 116.53 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.94 | Debye |