Geometry & MOs

Info

ID:	85419
PubChem CID:	49874967
Reduced:	S3H7C9 (2)
Stoich.:	A3B7C9 (2)
Weight, g/mol:	335.979398
ΔH_f, kcal/mol:	115.86
Dipole, Da:	0.88
IP(EA), eV:	-8.76(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-(4-chlorobenzoyl)-3-(4-hydroxy-3-methyl-2-sulfanylidene-1,3-thiazol-5-yl)prop-2-enenitrile

Drug info:

PubChemData

Smile

C1=CSC(=C1)C(C2=CC=CS2)SSC(C3=CC=CS3)C4=CC=CS4

DOS

IR

Vibrations