Geometry & MOs

Info

ID:	343881
PubChem CID:	127267057
Reduced:	SO3N4C13H16 (1)
Stoich.:	AB3C4D13E16 (1)
Weight, g/mol:	311.97212
ΔH_f, kcal/mol:	-37.14
Dipole, Da:	10.2
IP(EA), eV:	-10.2(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-bromo-2-oxo-4-(trifluoromethyl)pyridin-1-yl]-N-methylacetamide

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)C(=O)CN2C=C(N=N2)S(=O)(=O)N

DOS

IR

Vibrations