Geometry & MOs

Info

ID:

317842

PubChem CID:

126646385

Reduced:

NSO4F5C28H30 (1)

Stoich.:

ABC4D5E28F30 (1)

Weight, g/mol:

534.197555

ΔHf, kcal/mol:

-365.62

Dipole, Da:

5.81

IP(EA), eV:

 -9.42(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(4-fluorophenyl)ethyl]-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-(1-methylsulfonylpiperidin-3-yl)oxypropan-1-amine

Drug info:

PubChemData

Smile

CC(C)(C1=C(C=C(C=C1S(=O)(=O)C)OCCCN(CC2=CC=CC=C2)CC3=C(C(=CC=C3)C(F)(F)F)F)F)O

DOS

IR

Vibrations