Geometry & MOs

Info

ID:	167940
PubChem CID:	74901464
Reduced:	SN2O6H18C21 (1)
Stoich.:	AB2C6D18E21 (1)
Weight, g/mol:	379.054815
ΔH_f, kcal/mol:	-165.3
Dipole, Da:	8.16
IP(EA), eV:	-9.55(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-(1-carboxy-2-methylbutyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid

Drug info:

PubChemData

Smile

CC(C(=O)O)OC1=CC=CC(=C1)C=C2C(=O)N(C(=NC3=CC=CC=C3C(=O)O)S2)C

DOS

IR

Vibrations