Geometry & MOs

Info

ID:	86589
PubChem CID:	49887471
Reduced:	NSCl2O3H11C17 (1)
Stoich.:	ABC2D3E11F17 (1)
Weight, g/mol:	695.97495
ΔH_f, kcal/mol:	-78.42
Dipole, Da:	1.6
IP(EA), eV:	-9.36(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-2-[4-[(Z)-[3-[(4-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-ethoxy-6-iodophenoxy]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)/C(=C/C3=CC(=C(C=C3)O)Cl)/SC2=O)Cl

DOS

IR

Vibrations