Geometry & MOs

Info

ID:	16328
PubChem CID:	464583
Reduced:	OSN2C13H14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	246.082684
ΔH_f, kcal/mol:	-14.03
Dipole, Da:	2.57
IP(EA), eV:	-8.28(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-5-methyl-4-(3-methylphenyl)sulfanyl-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)SC2=C(C(=O)NC=C2C)N

DOS

IR

Vibrations