Geometry & MOs

Info

ID:	398454
PubChem CID:	135033351
Reduced:	NS2F3O4C17H22 (1)
Stoich.:	AB2C3D4E17F22 (1)
Weight, g/mol:	385.062935
ΔH_f, kcal/mol:	-315.73
Dipole, Da:	2.79
IP(EA), eV:	-9.52(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,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]3[C@@H]2CCCC3)OS(=O)C(F)(F)F

DOS

IR

Vibrations