Geometry & MOs

Info

ID:	392097
PubChem CID:	135012855
Reduced:	N2C15H19 (1)
Stoich.:	A2B15C19 (1)
Weight, g/mol:	253.040879
ΔH_f, kcal/mol:	84.9
Dipole, Da:	4.51
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.780785
Charge, e:	0

Chem-info

IUPAC name:

1-(2-hydroxyphenyl)sulfonyl-2,5-dihydropyridin-6-one

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]([C@H]([N@@+]1(C)CC=C)C#N)C2=CC=CC=C2

DOS

IR

Vibrations