(2r)-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 | 287.06 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 296.98 | 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 | 97.97 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 131.23 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 168.56 | J mol-1 K-1 |
| Rotational | 118.74 | J mol-1 K-1 |
| Vibrational | 89.59 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 376.89 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -364.81 | kJ mol-1 |
Molecular Orbitals
- 1 -2473.90 eV View
- 2 -552.36 eV View
- 3 -551.04 eV View
- 4 -417.43 eV View
- 5 -303.84 eV View
- 6 -302.79 eV View
- 7 -302.31 eV View
- 8 -239.30 eV View
- 9 -175.00 eV View
- 10 -174.91 eV View
- 11 -174.83 eV View
- 12 -37.75 eV View
- 13 -34.64 eV View
- 14 -31.82 eV View
- 15 -28.11 eV View
- 16 -25.15 eV View
- 17 -22.19 eV View
- 18 -20.00 eV View
- 19 -18.49 eV View
- 20 -17.93 eV View
- 21 -15.88 eV View
- 22 -15.76 eV View
- 23 -14.85 eV View
- 24 -14.39 eV View
- 25 -13.68 eV View
- 26 -13.17 eV View
- 27 -12.67 eV View
- 28 -11.14 eV View
- 29 -10.68 eV View
- 30 -9.40 eV View
- 31 -9.11 eV View
- 32 -8.52 eV View
- 33 8.23 eV View
- 34 10.21 eV View
- 35 12.49 eV View
- 36 14.66 eV View
- 37 15.12 eV View
- 38 16.75 eV View
- 39 17.15 eV View
- 40 17.43 eV View
- 41 18.12 eV View
- 42 19.11 eV View
- 43 19.74 eV View
- 44 20.74 eV View
- 45 22.88 eV View
- 46 27.24 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 48.75 cm-1 View
- 2 105.19 cm-1 View
- 3 196.16 cm-1 View
- 4 201.52 cm-1 View
- 5 252.60 cm-1 View
- 6 295.31 cm-1 View
- 7 303.54 cm-1 View
- 8 355.75 cm-1 View
- 9 527.04 cm-1 View
- 10 535.13 cm-1 View
- 11 628.75 cm-1 View
- 12 692.07 cm-1 View
- 13 713.90 cm-1 View
- 14 763.68 cm-1 View
- 15 861.79 cm-1 View
- 16 965.42 cm-1 View
- 17 1005.87 cm-1 View
- 18 1038.58 cm-1 View
- 19 1085.30 cm-1 View
- 20 1118.18 cm-1 View
- 21 1147.11 cm-1 View
- 22 1222.30 cm-1 View
- 23 1262.60 cm-1 View
- 24 1277.12 cm-1 View
- 25 1316.20 cm-1 View
- 26 1365.35 cm-1 View
- 27 1435.14 cm-1 View
- 28 1647.32 cm-1 View
- 29 1697.27 cm-1 View
- 30 1977.06 cm-1 View
- 31 2831.14 cm-1 View
- 32 2973.80 cm-1 View
- 33 3049.28 cm-1 View
- 34 3391.34 cm-1 View
- 35 3520.97 cm-1 View
- 36 3751.91 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -16.92 | kJ mol-1 |
| Polar Solvation Energy | -36.42 | kJ mol-1 |
| Nonpolar Solvation Energy | 19.48 | kJ mol-1 |
| Surface Area | 118.77 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 4.09 | Debye |