Geometry & MOs

Info

ID:

58984

PubChem CID:

24770123

Reduced:

SO2C20H20 (2)

Stoich.:

AB2C20D20 (2)

Weight, g/mol:

561.210899

ΔHf, kcal/mol:

-37.65

Dipole, Da:

5.73

IP(EA), eV:

 -8.25(-0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[(2R,6S)-1-(3-fluoro-4-methylphenyl)sulfonyl-6-(3-fluorophenyl)piperidin-2-yl]cyclopropyl] 4-acetylpiperazine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@H]([C@H](S2)SC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6

DOS

IR

Vibrations