Geometry & MOs

Info

ID:	7496
PubChem CID:	73140
Reduced:	ClNOS2H8C10 (1)
Stoich.:	ABCD2E8F10 (1)
Weight, g/mol:	256.973584
ΔH_f, kcal/mol:	-5.42
Dipole, Da:	2.24
IP(EA), eV:	-9.22(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chloro-3-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N2C(=O)CSC2=S)Cl

DOS

IR

Vibrations