Geometry & MOs

Info

ID:	398455
PubChem CID:	135033352
Reduced:	NS2F3O4C14H18 (1)
Stoich.:	AB2C3D4E14F18 (1)
Weight, g/mol:	385.062935
ΔH_f, kcal/mol:	-302.59
Dipole, Da:	1.06
IP(EA), eV:	-9.31(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)C)OS(=O)C(F)(F)F

DOS

IR

Vibrations