Geometry & MOs

Info

ID:	62215
PubChem CID:	26718291
Reduced:	OSF2N3C17H17 (1)
Stoich.:	ABC2D3E17F17 (1)
Weight, g/mol:	443.148121
ΔH_f, kcal/mol:	-92.71
Dipole, Da:	5.91
IP(EA), eV:	-9.05(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)C2=C(C=CC=N2)C(=O)NC3=CC=C(C=C3)SC(F)F

DOS

IR

Vibrations