Geometry & MOs

Info

ID:	21164
PubChem CID:	587398
Reduced:	ClNO2S2H10C17 (1)
Stoich.:	ABC2D2E10F17 (1)
Weight, g/mol:	358.984149
ΔH_f, kcal/mol:	15.86
Dipole, Da:	4.73
IP(EA), eV:	-8.95(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzylidene-3-(4-chlorobenzoyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)C(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations