Geometry & MOs

Info

ID:	86684
PubChem CID:	49888514
Reduced:	ClNSO2H18C20 (1)
Stoich.:	ABCD2E18F20 (1)
Weight, g/mol:	470.992126
ΔH_f, kcal/mol:	-56.23
Dipole, Da:	4.33
IP(EA), eV:	-9.48(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-chlorophenyl)methyl]-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Cl)C

DOS

IR

Vibrations