Geometry & MOs

Info

ID:	52868
PubChem CID:	14709107
Reduced:	SO3N4H12C19 (1)
Stoich.:	AB3C4D12E19 (1)
Weight, g/mol:	272.061949
ΔH_f, kcal/mol:	66.22
Dipole, Da:	7.63
IP(EA), eV:	-8.85(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2-methylsulfonyl-5-phenylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)C2=C(C3=C(S2)N=CC(=C3)C4=CC=NC=C4)N)[N+](=O)[O-]

DOS

IR

Vibrations