Geometry & MOs

Info

ID:	158649
PubChem CID:	56464420
Reduced:	ClN4O5H21C22 (1)
Stoich.:	AB4C5D21E22 (1)
Weight, g/mol:	414.124943
ΔH_f, kcal/mol:	-7.78
Dipole, Da:	3.99
IP(EA), eV:	-9.79(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethylsulfonylethyl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C1=NC(=NO1)C2CC2)NC(=O)C3=CC=C(C=C3)OC4=C(C=C(C=C4)Cl)[N+](=O)[O-]

DOS

IR

Vibrations