Geometry & MOs

Info

ID:	277118
PubChem CID:	103826823
Reduced:	BrClNOF3C12H12 (1)
Stoich.:	ABCDE3F12G12 (1)
Weight, g/mol:	387.9284
ΔH_f, kcal/mol:	-198.97
Dipole, Da:	3.07
IP(EA), eV:	-10.07(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-chloro-N-(6-methylsulfonylpyridin-3-yl)benzamide

Drug info:

PubChemData

Smile

CC(C)N(CC(F)(F)F)C(=O)C1=CC(=CC(=C1)Br)Cl

DOS

IR

Vibrations