Geometry & MOs

Info

ID:	21061
PubChem CID:	587065
Reduced:	BrNCl2O2H12C20 (1)
Stoich.:	ABC2D2E12F20 (1)
Weight, g/mol:	446.94285
ΔH_f, kcal/mol:	-15.1
Dipole, Da:	3.91
IP(EA), eV:	-9.27(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-3-chlorobenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)C2=C(C=CC(=C2)Br)NC(=O)C3=CC(=CC=C3)Cl)Cl

DOS

IR

Vibrations