Geometry & MOs

Info

ID:	280987
PubChem CID:	103852321
Reduced:	BrClFN2O3H7C13 (1)
Stoich.:	ABCD2E3F7G13 (1)
Weight, g/mol:	419.91739
ΔH_f, kcal/mol:	-45.12
Dipole, Da:	8.32
IP(EA), eV:	-10.12(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-(3-fluoro-4-nitrophenyl)-2-iodobenzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])F)Br)Cl

DOS

IR

Vibrations