Geometry & MOs

Info

ID:	23347
PubChem CID:	603157
Reduced:	ClNBr2O2H12C20 (1)
Stoich.:	ABC2D2E12F20 (1)
Weight, g/mol:	492.89028
ΔH_f, kcal/mol:	-2.28
Dipole, Da:	2.8
IP(EA), eV:	-9.24(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations