Geometry & MOs

Info

ID:	87653
PubChem CID:	49896293
Reduced:	NSCl2O4H17C25 (1)
Stoich.:	ABC2D4E17F25 (1)
Weight, g/mol:	536.04054
ΔH_f, kcal/mol:	-94.06
Dipole, Da:	3.02
IP(EA), eV:	-9.34(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-bromo-4-[(Z)-[3-[(4-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-phenylacetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=C(C=CC(=C3)Cl)OC(=O)C4=CC=C(C=C4)Cl)/SC2=O

DOS

IR

Vibrations