Geometry & MOs

Info

ID:	61707
PubChem CID:	26712012
Reduced:	SF3O3N4C19H23 (1)
Stoich.:	AB3C3D4E19F23 (1)
Weight, g/mol:	450.128314
ΔH_f, kcal/mol:	-236.66
Dipole, Da:	5.94
IP(EA), eV:	-9.39(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-4-methylsulfonylbenzamide

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H](N1S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C=CC(=N3)C(F)(F)F)C

DOS

IR

Vibrations