MolCalcThe Molecule Calculator

Methanethione

Molecule
Thermodynamics
Molecular Orbitals
Vibrational Frequencies
Polarity and Solvation

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	63.32	kJ mol^-1
Total (Trans. + Rot. + Vib.)	73.23	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	5.43	J mol^-1 K^-1
Total (Trans. + Rot. + Vib.)	38.69	J mol^-1 K^-1

Entropy
Property	Value	Unit
Translational	156.49	J mol^-1 K^-1
Rotational	77.95	J mol^-1 K^-1
Vibrational	1.36	J mol^-1 K^-1
Total (Trans. + Rot. + Vib.)	235.80	J mol^-1 K^-1

Other Properties
Property	Value	Unit
Heat of Formation	157.09	kJ mol^-1

Molecular Orbitals

1 -2472.99 eV View
2 -302.51 eV View
3 -238.51 eV View
4 -174.20 eV View
5 -174.12 eV View
6 -174.02 eV View
7 -28.21 eV View
8 -20.72 eV View
9 -16.35 eV View
10 -13.14 eV View
11 -10.40 eV View
12 -7.99 eV View
13 4.72 eV View
14 15.46 eV View
15 18.06 eV View
16 19.64 eV View

Vibrational Frequencies

Vibration
Vectors
Balls

1 899.83 cm^-1 View
2 1001.91 cm^-1 View
3 1062.16 cm^-1 View
4 1392.34 cm^-1 View
5 3051.06 cm^-1 View
6 3122.82 cm^-1 View

Aqueous Solvation Energy at 298.15 K

Surface
Dipole
Translucent Molecule

Property	Value	Unit
Total Solvation Energy	-9.48	kJ mol^-1
Polar Solvation Energy	-18.54	kJ mol^-1
Nonpolar Solvation Energy	9.07	kJ mol^-1

Surface Area	66.58	Å²
Charge of Molecule	0
Dipole	2.98	Debye