Geometry & MOs

Info

ID:	283576
PubChem CID:	103990307
Reduced:	SN2O2C13H16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	283.079076
ΔH_f, kcal/mol:	-40.29
Dipole, Da:	7.69
IP(EA), eV:	-9.85(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-fluoropyridin-3-yl)sulfonyl-4-methylpiperidine-4-carbonitrile

Drug info:

PubChemData

Smile

CC1(CCN(CC1)S(=O)(=O)C2=CC=CC=C2)C#N

DOS

IR

Vibrations