(2s)-2-amino-3-sulfanylpropanoic acid
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 | 286.84 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 296.75 | 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 | 99.51 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 132.77 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 168.56 | J mol-1 K-1 |
| Rotational | 119.70 | J mol-1 K-1 |
| Vibrational | 103.55 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 391.80 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -372.87 | kJ mol-1 |
Molecular Orbitals
- 1 -2473.28 eV View
- 2 -552.50 eV View
- 3 -551.31 eV View
- 4 -417.17 eV View
- 5 -304.22 eV View
- 6 -302.61 eV View
- 7 -301.84 eV View
- 8 -238.67 eV View
- 9 -174.37 eV View
- 10 -174.29 eV View
- 11 -174.19 eV View
- 12 -38.13 eV View
- 13 -34.85 eV View
- 14 -31.53 eV View
- 15 -27.72 eV View
- 16 -24.71 eV View
- 17 -22.41 eV View
- 18 -19.84 eV View
- 19 -18.09 eV View
- 20 -16.95 eV View
- 21 -16.21 eV View
- 22 -15.87 eV View
- 23 -15.13 eV View
- 24 -14.27 eV View
- 25 -13.60 eV View
- 26 -12.91 eV View
- 27 -12.57 eV View
- 28 -10.76 eV View
- 29 -10.36 eV View
- 30 -9.74 eV View
- 31 -8.95 eV View
- 32 -8.42 eV View
- 33 7.87 eV View
- 34 10.70 eV View
- 35 13.04 eV View
- 36 14.33 eV View
- 37 16.33 eV View
- 38 16.86 eV View
- 39 17.03 eV View
- 40 18.10 eV View
- 41 18.55 eV View
- 42 19.46 eV View
- 43 20.26 eV View
- 44 20.42 eV View
- 45 21.69 eV View
- 46 26.96 eV View
Jmol._Canvas2D (JSmol) "jmol_orbitals"[x]
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 18.76 cm-1 View
- 2 66.53 cm-1 View
- 3 185.39 cm-1 View
- 4 209.83 cm-1 View
- 5 241.22 cm-1 View
- 6 262.90 cm-1 View
- 7 312.47 cm-1 View
- 8 385.97 cm-1 View
- 9 430.88 cm-1 View
- 10 512.31 cm-1 View
- 11 542.20 cm-1 View
- 12 689.38 cm-1 View
- 13 736.28 cm-1 View
- 14 811.50 cm-1 View
- 15 871.28 cm-1 View
- 16 985.04 cm-1 View
- 17 1015.95 cm-1 View
- 18 1041.32 cm-1 View
- 19 1090.06 cm-1 View
- 20 1119.10 cm-1 View
- 21 1141.21 cm-1 View
- 22 1205.58 cm-1 View
- 23 1229.77 cm-1 View
- 24 1245.95 cm-1 View
- 25 1298.90 cm-1 View
- 26 1369.41 cm-1 View
- 27 1426.05 cm-1 View
- 28 1651.24 cm-1 View
- 29 1701.32 cm-1 View
- 30 1975.28 cm-1 View
- 31 2833.59 cm-1 View
- 32 2969.84 cm-1 View
- 33 3047.98 cm-1 View
- 34 3400.59 cm-1 View
- 35 3527.32 cm-1 View
- 36 3847.20 cm-1 View
Jmol._Canvas2D (JSmol) "jmol_vib"[x]
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -16.03 | kJ mol-1 |
| Polar Solvation Energy | -32.70 | kJ mol-1 |
| Nonpolar Solvation Energy | 16.68 | kJ mol-1 |
| Surface Area | 120.01 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 3.00 | Debye |
Jmol._Canvas2D (JSmol) "jmol_solvation"[x]