Geometry & MOs

Info

ID:	87652
PubChem CID:	49896291
Reduced:	NSO3H19C21 (1)
Stoich.:	ABC3D19E21 (1)
Weight, g/mol:	497.025535
ΔH_f, kcal/mol:	-49.81
Dipole, Da:	1.5
IP(EA), eV:	-9.21(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-chloro-2-[(Z)-[3-[(4-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-chlorobenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC(=CC=C3)OCC=C)/SC2=O

DOS

IR

Vibrations