Geometry & MOs

Info

ID:	89838
PubChem CID:	49964954
Reduced:	ClOSN4H13C19 (1)
Stoich.:	ABCD4E13F19 (1)
Weight, g/mol:	321.073597
ΔH_f, kcal/mol:	75.15
Dipole, Da:	2.66
IP(EA), eV:	-9.15(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations