Geometry & MOs

Info

ID:	89830
PubChem CID:	49964868
Reduced:	ON5C15H21 (1)
Stoich.:	AB5C15D21 (1)
Weight, g/mol:	364.07941
ΔH_f, kcal/mol:	28.06
Dipole, Da:	3.45
IP(EA), eV:	-8.72(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyano-6-pyridin-4-ylpyridin-2-yl)sulfanyl-N-(3-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

CCCN1CCC2(CC1)C(=C(OC3=NNC(=C23)C)N)C#N

DOS

IR

Vibrations