Geometry & MOs

Info

ID:	20815
PubChem CID:	585862
Reduced:	FNOSH10C14 (1)
Stoich.:	ABCDE10F14 (1)
Weight, g/mol:	259.046713
ΔH_f, kcal/mol:	-3.7
Dipole, Da:	4.4
IP(EA), eV:	-8.99(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-3-pyridin-2-ylsulfanylprop-2-en-1-one

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)SC=CC(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations