Geometry & MOs

Info

ID:	195506
PubChem CID:	78695019
Reduced:	SN2O3H15C19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	352.088164
ΔH_f, kcal/mol:	10.22
Dipole, Da:	3.72
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.792600
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-(2-ethylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]benzoic acid

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1N2C(=O)C(=CC3=CC=C(C=C3)C(=O)[O-])NC2=S

DOS

IR

Vibrations