Geometry & MOs

Info

ID:	171090
PubChem CID:	75326533
Reduced:	BrNSCl2O4H14C24 (1)
Stoich.:	ABCD2E4F14G24 (1)
Weight, g/mol:	508.145678
ΔH_f, kcal/mol:	-80.96
Dipole, Da:	3.78
IP(EA), eV:	-9.35(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylphenyl)-2-[4-[[3-(naphthalen-1-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)CN2C(=O)C(=CC3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)Br)SC2=O)Cl

DOS

IR

Vibrations