Geometry & MOs

Info

ID:	87599
PubChem CID:	49895683
Reduced:	NSO3H19C21 (1)
Stoich.:	ABC3D19E21 (1)
Weight, g/mol:	526.052084
ΔH_f, kcal/mol:	-50.14
Dipole, Da:	3.8
IP(EA), eV:	-9.02(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)/C(=C/C3=CC=C(C=C3)OCC=C)/SC2=O

DOS

IR

Vibrations