Geometry & MOs

Info

ID:	57968
PubChem CID:	24398049
Reduced:	NOCl2C18H21 (1)
Stoich.:	ABC2D18E21 (1)
Weight, g/mol:	402.080491
ΔH_f, kcal/mol:	-82.81
Dipole, Da:	5.57
IP(EA), eV:	-8.85(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-2-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)NC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

DOS

IR

Vibrations