Geometry & MOs

Info

ID:	88129
PubChem CID:	49901787
Reduced:	BrNSCl2O5H14C20 (1)
Stoich.:	ABCD2E5F14G20 (1)
Weight, g/mol:	542.106706
ΔH_f, kcal/mol:	-151.65
Dipole, Da:	3.67
IP(EA), eV:	-9.41(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)COC1=C(C=C(C=C1)Br)/C=C\2/C(=O)N(C(=O)S2)CC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations