Geometry & MOs

Info

ID:	39452
PubChem CID:	8140849
Reduced:	N2O3H20C21 (1)
Stoich.:	A2B3C20D21 (1)
Weight, g/mol:	394.00837
ΔH_f, kcal/mol:	-80.52
Dipole, Da:	5.6
IP(EA), eV:	-9.08(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C2=CC3=CC=CC=C3C=C2O

DOS

IR

Vibrations