Geometry & MOs

Info

ID:	205660
PubChem CID:	80132201
Reduced:	BrINOF2H7C13 (1)
Stoich.:	ABCDE2F7G13 (1)
Weight, g/mol:	405.8951
ΔH_f, kcal/mol:	-63.83
Dipole, Da:	2.45
IP(EA), eV:	-9.18(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(5-bromo-4-methylpyridin-2-yl)-2,6-difluorobenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC(=O)C2=C(C=C(C=C2F)Br)F)I

DOS

IR

Vibrations