Geometry & MOs

Info

ID:	198072
PubChem CID:	79043388
Reduced:	SN4C15H16 (1)
Stoich.:	AB4C15D16 (1)
Weight, g/mol:	307.99605
ΔH_f, kcal/mol:	61.64
Dipole, Da:	5.28
IP(EA), eV:	-8.6(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4-fluoro-N-(2-methylpyridin-3-yl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=N1)NC2=C(C=C3CCCC3=N2)C(=S)N

DOS

IR

Vibrations