3-sulfanylpropanoic acid
Molecule Viewer
Molecular Orbitals
- 1 -2473.33 eV View
- 2 -552.22 eV View
- 3 -551.00 eV View
- 4 -304.06 eV View
- 5 -302.02 eV View
- 6 -301.73 eV View
- 7 -238.73 eV View
- 8 -174.43 eV View
- 9 -174.35 eV View
- 10 -174.25 eV View
- 11 -37.81 eV View
- 12 -34.51 eV View
- 13 -28.73 eV View
- 14 -25.45 eV View
- 15 -22.14 eV View
- 16 -20.19 eV View
- 17 -17.09 eV View
- 18 -16.57 eV View
- 19 -16.00 eV View
- 20 -15.08 eV View
- 21 -14.36 eV View
- 22 -13.80 eV View
- 23 -12.67 eV View
- 24 -12.28 eV View
- 25 -10.86 eV View
- 26 -9.41 eV View
- 27 -9.30 eV View
- 28 -8.54 eV View
- 29 8.31 eV View
- 30 10.56 eV View
- 31 12.95 eV View
- 32 14.94 eV View
- 33 16.13 eV View
- 34 17.23 eV View
- 35 18.35 eV View
- 36 19.22 eV View
- 37 19.68 eV View
- 38 20.17 eV View
- 39 21.86 eV View
- 40 27.14 eV View
Vibrational Frequencies
| Vibration |
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| Vectors |
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| Balls |
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- 1 32.28 cm-1 View
- 2 57.32 cm-1 View
- 3 117.00 cm-1 View
- 4 237.30 cm-1 View
- 5 306.21 cm-1 View
- 6 408.42 cm-1 View
- 7 454.22 cm-1 View
- 8 519.15 cm-1 View
- 9 631.52 cm-1 View
- 10 722.86 cm-1 View
- 11 821.59 cm-1 View
- 12 901.27 cm-1 View
- 13 941.30 cm-1 View
- 14 966.54 cm-1 View
- 15 1064.70 cm-1 View
- 16 1085.52 cm-1 View
- 17 1138.69 cm-1 View
- 18 1228.24 cm-1 View
- 19 1241.29 cm-1 View
- 20 1317.66 cm-1 View
- 21 1368.68 cm-1 View
- 22 1397.05 cm-1 View
- 23 1441.84 cm-1 View
- 24 1717.41 cm-1 View
- 25 1981.72 cm-1 View
- 26 2941.76 cm-1 View
- 27 2983.26 cm-1 View
- 28 3014.88 cm-1 View
- 29 3065.54 cm-1 View
- 30 3852.55 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
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| Dipole |
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| Translucent Molecule |
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| Property | Value | Unit |
| Total Solvation Energy | -15.28 | kJ mol-1 |
| Polar Solvation Energy | -35.86 | kJ mol-1 |
| Nonpolar Solvation Energy | 20.61 | kJ mol-1 |
| Surface Area | 113.79 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 4.25 | Debye |