Geometry & MOs

Info

ID:	303431
PubChem CID:	124489700
Reduced:	SN2O2F3C13H17 (1)
Stoich.:	AB2C2D3E13F17 (1)
Weight, g/mol:	322.096283
ΔH_f, kcal/mol:	-215.97
Dipole, Da:	6.85
IP(EA), eV:	-9.2(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4S)-4-methylpiperidin-3-yl]-2-(trifluoromethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

C[C@@H]1CCNC[C@@H]1NS(=O)(=O)C2=CC=CC=C2C(F)(F)F

DOS

IR

Vibrations