Geometry & MOs

Info

ID:

317834

PubChem CID:

126646292

Reduced:

FN2O5H19C23 (1)

Stoich.:

AB2C5D19E23 (1)

Weight, g/mol:

587.15202

ΔHf, kcal/mol:

-157.19

Dipole, Da:

9.84

IP(EA), eV:

 -9.48(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@@H]([C@@H]2[C@H](O1)[C@H](CO2)OC3=C(C(=O)N(C4=CC=CC=C43)CC5=CC=C(C=C5)F)C#N)O

DOS

IR

Vibrations