Geometry & MOs

Info

ID:	69282
PubChem CID:	46530575
Reduced:	ClN3O3C21H24 (1)
Stoich.:	AB3C3D21E24 (1)
Weight, g/mol:	383.086583
ΔH_f, kcal/mol:	-90.74
Dipole, Da:	2.42
IP(EA), eV:	-8.38(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(carbamoylamino)phenyl]-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)OCCCC(=O)NC2=CC=C(C=C2)NC(=O)NCC=C

DOS

IR

Vibrations