Geometry & MOs

Info

ID:	87213
PubChem CID:	49893256
Reduced:	NSO2Cl4H9C17 (1)
Stoich.:	ABC2D4E9F17 (1)
Weight, g/mol:	545.997461
ΔH_f, kcal/mol:	-48.96
Dipole, Da:	2.36
IP(EA), eV:	-9.69(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-chloro-2-[(Z)-[3-[(2-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-chlorophenyl)acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations