Geometry & MOs

Info

ID:

317813

PubChem CID:

126645924

Reduced:

NSF5O5H32C34 (1)

Stoich.:

ABC5D5E32F34 (1)

Weight, g/mol:

546.216399

ΔHf, kcal/mol:

-366.93

Dipole, Da:

3.5

IP(EA), eV:

 -9.41(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2,2-diphenylethyl)-3-(1-methylsulfonylazetidin-3-yl)oxy-N-[[3-(trifluoromethyl)phenyl]methyl]propan-1-amine

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=C(C=C1S(=O)(=O)C)OCCCN(CC2=C(C(=CC=C2)C(F)(F)F)F)CC(C3=CC=CC=C3)C4=CC=CC=C4)F

DOS

IR

Vibrations