Geometry & MOs

Info

ID:	89833
PubChem CID:	49964922
Reduced:	OSF2N4H12C19 (1)
Stoich.:	ABC2D4E12F19 (1)
Weight, g/mol:	317.098669
ΔH_f, kcal/mol:	-8.2
Dipole, Da:	2.91
IP(EA), eV:	-9.27(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methylphenyl)methylsulfanyl]-6-pyridin-4-ylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)F)NC(=O)CSC2=C(C=CC(=N2)C3=CC=NC=C3)C#N

DOS

IR

Vibrations