Geometry & MOs

Info

ID:	398452
PubChem CID:	135033349
Reduced:	NS2F3O4C18H24 (1)
Stoich.:	AB2C3D4E18F24 (1)
Weight, g/mol:	413.094235
ΔH_f, kcal/mol:	-319.17
Dipole, Da:	4.17
IP(EA), eV:	-9.38(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CC(CC3(C2)CCCCC3)OS(=O)C(F)(F)F

DOS

IR

Vibrations