Geometry & MOs

Info

ID:

317857

PubChem CID:

126646518

Reduced:

NSO4F5C27H28 (1)

Stoich.:

ABC4D5E27F28 (1)

Weight, g/mol:

584.176819

ΔHf, kcal/mol:

-360.51

Dipole, Da:

8.61

IP(EA), eV:

 -9.31(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[2-fluoro-4-[3-[(4-fluorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]propoxy]-6-methylsulfonylphenyl]methyl]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations