Geometry & MOs

Info

ID:	19774
PubChem CID:	572433
Reduced:	SO2N3H15C16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	313.088498
ΔH_f, kcal/mol:	-25.97
Dipole, Da:	3.44
IP(EA), eV:	-8.92(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)CSC2=C(C(=CC(=O)N2)C)C#N

DOS

IR

Vibrations