Geometry & MOs

Info

ID:	52862
PubChem CID:	14709100
Reduced:	OSN3H11C13 (1)
Stoich.:	ABC3D11E13 (1)
Weight, g/mol:	271.077933
ΔH_f, kcal/mol:	70.97
Dipole, Da:	5.41
IP(EA), eV:	-8.81(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylsulfinyl-6-methyl-5-pyridin-4-ylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCS(=O)C1=C(C=C(C=N1)C2=CC=NC=C2)C#N

DOS

IR

Vibrations