Geometry & MOs

Info

ID:	204319
PubChem CID:	79946332
Reduced:	BrNOSF3C12H13 (1)
Stoich.:	ABCDE3F12G13 (1)
Weight, g/mol:	310.9461
ΔH_f, kcal/mol:	-187.13
Dipole, Da:	3.04
IP(EA), eV:	-9.38(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-N-(6-chloropyridin-2-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(=O)N2CCC(CC2)C(F)(F)F)Br

DOS

IR

Vibrations