Geometry & MOs

Info

ID:	61298
PubChem CID:	26708044
Reduced:	FSN3O4C20H20 (1)
Stoich.:	ABC3D4E20F20 (1)
Weight, g/mol:	412.145678
ΔH_f, kcal/mol:	-128.56
Dipole, Da:	6.75
IP(EA), eV:	-8.45(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-propan-2-ylphenyl) 1-(2-cyanophenyl)sulfonylpiperidine-4-carboxylate

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=CC=C(C=C3)OCC#N

DOS

IR

Vibrations