Geometry & MOs

Info

ID:	139742
PubChem CID:	52587797
Reduced:	N4O7C20H24 (1)
Stoich.:	A4B7C20D24 (1)
Weight, g/mol:	456.01015
ΔH_f, kcal/mol:	-207.09
Dipole, Da:	5.38
IP(EA), eV:	-9.96(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-iodo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1CCCN(C1)C(=O)CN2C(=O)[C@@](NC2=O)(C)C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations