Geometry & MOs

Info

ID:	62339
PubChem CID:	26719334
Reduced:	S2N3O3C22H25 (1)
Stoich.:	A2B3C3D22E25 (1)
Weight, g/mol:	431.111735
ΔH_f, kcal/mol:	-88.69
Dipole, Da:	4.28
IP(EA), eV:	-8.47(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)CCSCC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2

DOS

IR

Vibrations