Geometry & MOs

Info

ID:	398449
PubChem CID:	135033346
Reduced:	NSF3O4C13H22 (1)
Stoich.:	ABC3D4E13F22 (1)
Weight, g/mol:	447.078585
ΔH_f, kcal/mol:	-366.1
Dipole, Da:	2.96
IP(EA), eV:	-9.36(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,5R)-1-(4-methylphenyl)sulfonyl-5-phenylpiperidin-3-yl] trifluoromethanesulfinate

Drug info:

PubChemData

Smile

CC1(C[C@H](CN(C1)C(=O)OC(C)(C)C)OS(=O)C(F)(F)F)C

DOS

IR

Vibrations