Geometry & MOs

Info

ID:	52863
PubChem CID:	14709101
Reduced:	OSN3H13C14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	259.041548
ΔH_f, kcal/mol:	60.42
Dipole, Da:	6.28
IP(EA), eV:	-8.78(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylsulfonyl-5-pyridin-4-ylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCS(=O)C1=NC(=C(C=C1C#N)C2=CC=NC=C2)C

DOS

IR

Vibrations