Geometry & MOs

Info

ID:	216856
PubChem CID:	85086886
Reduced:	O2N3C18H19 (1)
Stoich.:	A2B3C18D19 (1)
Weight, g/mol:	309.103479
ΔH_f, kcal/mol:	11.5
Dipole, Da:	6.64
IP(EA), eV:	-8.58(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethoxy-2-methyl-1-(4-methylphenyl)sulfonyl-2,6-dihydropyridin-3-one

Drug info:

PubChemData

Smile

CC(C)COC(=O)C1=CC2=NC3=C4C(CCC3=C2C=C1)C=NN4

DOS

IR

Vibrations