Geometry & MOs

Info

ID:	87618
PubChem CID:	49895874
Reduced:	NSO4H17C19 (1)
Stoich.:	ABC4D17E19 (1)
Weight, g/mol:	497.025535
ΔH_f, kcal/mol:	-107.35
Dipole, Da:	2.61
IP(EA), eV:	-8.74(-1.21)
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] 2-chlorobenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations