Geometry & MOs

Info

ID:	398447
PubChem CID:	135033344
Reduced:	IO2H13C14 (1)
Stoich.:	AB2C13D14 (1)
Weight, g/mol:	399.078585
ΔH_f, kcal/mol:	-42.02
Dipole, Da:	1.65
IP(EA), eV:	-8.96(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-3-yl] trifluoromethanesulfinate

Drug info:

PubChemData

Smile

CC(=O)OC(CI)C1=CC2=CC=CC=C2C=C1

DOS

IR

Vibrations