Geometry & MOs

Info

ID:	62945
PubChem CID:	26737740
Reduced:	SN3O3C18H21 (1)
Stoich.:	AB3C3D18E21 (1)
Weight, g/mol:	445.127385
ΔH_f, kcal/mol:	-75.15
Dipole, Da:	6.49
IP(EA), eV:	-8.83(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethoxyphenyl)-N-(2-methyl-3-nitrophenyl)-1,3-dioxoisoindole-5-carboxamide

Drug info:

PubChemData

Smile

CC[C@H](C)C1=CC=C(C=C1)NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2

DOS

IR

Vibrations