Geometry & MOs

Info

ID:	86586
PubChem CID:	49887446
Reduced:	ClNSO4H20C22 (1)
Stoich.:	ABCD4E20F22 (1)
Weight, g/mol:	513.056835
ΔH_f, kcal/mol:	-90.82
Dipole, Da:	3.58
IP(EA), eV:	-8.68(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)CC=C)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3Cl

DOS

IR

Vibrations