Geometry & MOs

Info

ID:	62694
PubChem CID:	26736235
Reduced:	SN2O7H20C22 (1)
Stoich.:	AB2C7D20E22 (1)
Weight, g/mol:	420.087685
ΔH_f, kcal/mol:	-144.02
Dipole, Da:	9.11
IP(EA), eV:	-8.47(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chlorophenyl)-N-(2-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

DOS

IR

Vibrations