Geometry & MOs

Info

ID:	398450
PubChem CID:	135033347
Reduced:	NS2F3O4C19H20 (1)
Stoich.:	AB2C3D4E19F20 (1)
Weight, g/mol:	385.062935
ΔH_f, kcal/mol:	-278.83
Dipole, Da:	6.39
IP(EA), eV:	-9.06(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(5S)-5-methyl-1-(4-methylphenyl)sulfonylpiperidin-3-yl] trifluoromethanesulfinate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C[C@H](C[C@H](C2)OS(=O)C(F)(F)F)C3=CC=CC=C3

DOS

IR

Vibrations