Geometry & MOs

Info

ID:	87558
PubChem CID:	49895373
Reduced:	NSCl2O4H21C26 (1)
Stoich.:	ABC2D4E21F26 (1)
Weight, g/mol:	492.091056
ΔH_f, kcal/mol:	-92.1
Dipole, Da:	3.91
IP(EA), eV:	-8.89(-1.4)
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-phenylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=CC(=C(C(=C3)Cl)OCC4=CC=CC=C4Cl)OC)/SC2=O

DOS

IR

Vibrations