2-[4-[2-[[3-[[2-[4-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]acetyl]amino]phenyl]amino]-2-oxoethyl]phenoxy]-2-methylpropanoic 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 | 179.75 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 189.66 | 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 | 32.01 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 65.27 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 156.77 | J mol-1 K-1 |
| Rotational | 92.60 | J mol-1 K-1 |
| Vibrational | 23.72 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 273.10 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -65.42 | kJ mol-1 |
Molecular Orbitals
- 1 -551.95 eV View
- 2 -417.91 eV View
- 3 -301.42 eV View
- 4 -35.94 eV View
- 5 -28.82 eV View
- 6 -23.23 eV View
- 7 -16.60 eV View
- 8 -16.32 eV View
- 9 -14.57 eV View
- 10 -14.16 eV View
- 11 -12.87 eV View
- 12 -10.37 eV View
- 13 -8.49 eV View
- 14 14.04 eV View
- 15 16.90 eV View
- 16 17.96 eV View
- 17 18.36 eV View
- 18 19.63 eV View
- 19 19.87 eV View
- 20 20.69 eV View
Vibrational Frequencies
| Vibration |
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| Vectors |
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| Balls |
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- 1 159.77 cm-1 View
- 2 265.73 cm-1 View
- 3 437.30 cm-1 View
- 4 789.64 cm-1 View
- 5 910.47 cm-1 View
- 6 1018.06 cm-1 View
- 7 1091.71 cm-1 View
- 8 1109.72 cm-1 View
- 9 1306.81 cm-1 View
- 10 1371.80 cm-1 View
- 11 1388.67 cm-1 View
- 12 1393.25 cm-1 View
- 13 1468.95 cm-1 View
- 14 3046.91 cm-1 View
- 15 3066.88 cm-1 View
- 16 3139.96 cm-1 View
- 17 3431.04 cm-1 View
- 18 3941.64 cm-1 View