Geometry & MOs

Info

ID:	353874
PubChem CID:	127285514
Reduced:	FSN2O3C19H19 (1)
Stoich.:	ABC2D3E19F19 (1)
Weight, g/mol:	398.097014
ΔH_f, kcal/mol:	-112.85
Dipole, Da:	5.2
IP(EA), eV:	-9.54(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-4-yl]oxybenzonitrile

Drug info:

PubChemData

Smile

C1CC2=C(C=CC(=C2)S(=O)(=O)NC3(CC3)C4=CC=C(C=C4)F)NC(=O)C1

DOS

IR

Vibrations