Geometry & MOs

Info

ID:	52350
PubChem CID:	12015190
Reduced:	NO4H9C15 (1)
Stoich.:	AB4C9D15 (1)
Weight, g/mol:	291.1293
ΔH_f, kcal/mol:	-94.51
Dipole, Da:	9.25
IP(EA), eV:	-9.34(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethenyl-3,3-dimethyl-1-(4-methylphenyl)sulfonyl-2,4-dihydropyridine

Drug info:

PubChemData

Smile

C1=C/C(=C\2/C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O)/NC=C1

DOS

IR

Vibrations