Geometry & MOs

Info

ID:	52864
PubChem CID:	14709102
Reduced:	SO2N3H9C12 (1)
Stoich.:	AB2C3D9E12 (1)
Weight, g/mol:	287.072848
ΔH_f, kcal/mol:	21.33
Dipole, Da:	6.61
IP(EA), eV:	-10.71(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations