Geometry & MOs

Info

ID:	303430
PubChem CID:	124489699
Reduced:	SN2O2C14H22 (1)
Stoich.:	AB2C2D14E22 (1)
Weight, g/mol:	322.096283
ΔH_f, kcal/mol:	-86.45
Dipole, Da:	6.16
IP(EA), eV:	-8.97(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations