Geometry & MOs

Info

ID:	401049
PubChem CID:	135049917
Reduced:	SnO2C23H48 (1)
Stoich.:	AB2C23D48 (1)
Weight, g/mol:	431.155515
ΔH_f, kcal/mol:	-140.31
Dipole, Da:	2.45
IP(EA), eV:	-8.6(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-4-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-3,4-dihydropyridin-2-one

Drug info:

PubChemData

Smile

CCCC/C=C(\OCOCCCC)/[Sn](CCCC)(CCCC)CCCC

DOS

IR

Vibrations