Geometry & MOs

Info

ID:

317851

PubChem CID:

126646481

Reduced:

ClNPF3O3H32C33 (1)

Stoich.:

ABCD3E3F32G33 (1)

Weight, g/mol:

585.160835

ΔHf, kcal/mol:

-248.54

Dipole, Da:

4.7

IP(EA), eV:

 -9.13(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-fluoro-4-[3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl-(2-phenylethyl)amino]propoxy]-6-methylsulfonylphenyl]acetic acid

Drug info:

PubChemData

Smile

CP1(=O)C2=C(CO1)C=CC(=C2)OCCCN(CC3=C(C(=CC=C3)C(F)(F)F)Cl)CC(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations