Geometry & MOs

Info

ID:	70367
PubChem CID:	48413249
Reduced:	SO2F3N4C17H21 (1)
Stoich.:	AB2C3D4E17F21 (1)
Weight, g/mol:	418.165032
ΔH_f, kcal/mol:	-173.55
Dipole, Da:	8.5
IP(EA), eV:	-9.05(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanoethyl)-N-methyl-4-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-sulfonamide

Drug info:

PubChemData

Smile

CN(CC1=CC(=CC=C1)C(F)(F)F)C2CCN(CC2)S(=O)(=O)C3=CNN=C3

DOS

IR

Vibrations