Geometry & MOs

Info

ID:	268613
PubChem CID:	103600210
Reduced:	ClN3O3H10C12 (1)
Stoich.:	AB3C3D10E12 (1)
Weight, g/mol:	468.87861
ΔH_f, kcal/mol:	-99.09
Dipole, Da:	7.48
IP(EA), eV:	-8.86(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-iodo-N-[2-(trifluoromethyl)phenyl]benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC(=O)CN2C(=O)C=CNC2=O)Cl

DOS

IR

Vibrations