Geometry & MOs

Info

ID:	196302
PubChem CID:	78808670
Reduced:	O2N3H17C20 (1)
Stoich.:	A2B3C17D20 (1)
Weight, g/mol:	391.100205
ΔH_f, kcal/mol:	16.29
Dipole, Da:	3.47
IP(EA), eV:	-8.35(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(2-fluoro-5-methylsulfonylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC=CN2C1=NC(=C2NC(=O)C3=C(OC=C3)C)C4=CC=CC=C4

DOS

IR

Vibrations