Geometry & MOs

Info

ID:

317841

PubChem CID:

126646380

Reduced:

ClNSO4F5C31H35 (1)

Stoich.:

ABCD4E5F31G35 (1)

Weight, g/mol:

571.18157

ΔHf, kcal/mol:

-399.68

Dipole, Da:

6.05

IP(EA), eV:

 -9.06(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[3-[benzyl-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]amino]propoxy]-2-fluoro-6-methylsulfonylphenyl]propan-2-ol

Drug info:

PubChemData

Smile

CC(C)(CN(CCCOC1=CC(=C(C(=C1)S(=O)(=O)C)C(C)(C)O)F)CC2=C(C(=CC=C2)C(F)(F)F)Cl)C3=CC=C(C=C3)F

DOS

IR

Vibrations