Geometry & MOs

Info

ID:	157412
PubChem CID:	56424069
Reduced:	OSN2C17H20 (1)
Stoich.:	ABC2D17E20 (1)
Weight, g/mol:	321.97755
ΔH_f, kcal/mol:	-7.62
Dipole, Da:	6.04
IP(EA), eV:	-8.23(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(6-methylsulfanylpyridin-3-yl)benzamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CN=C(C=C2)SC

DOS

IR

Vibrations