Geometry & MOs

Info

ID:	240677
PubChem CID:	93617043
Reduced:	SO2F3N3C13H14 (1)
Stoich.:	AB2C3D3E13F14 (1)
Weight, g/mol:	297.075882
ΔH_f, kcal/mol:	-182.29
Dipole, Da:	9.85
IP(EA), eV:	-9.85(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(1-methylpyrazol-4-yl)sulfonyl-3-(trifluoromethyl)piperidine

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=CC=C1)C(F)(F)F)NS(=O)(=O)C2=CN(N=C2)C

DOS

IR

Vibrations