Geometry & MOs

Info

ID:

59003

PubChem CID:

24770209

Reduced:

SF2N3O4C33H37 (1)

Stoich.:

AB2C3D4E33F37 (1)

Weight, g/mol:

601.278584

ΔHf, kcal/mol:

-169.28

Dipole, Da:

6.04

IP(EA), eV:

 -8.74(-0.99)

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-cyclohexylpiperazine-1-carboxylate

Drug info:

PubChemData

Smile

C1C[C@H](N([C@H](C1)C2(CC2)OC(=O)N3CCCN(CC3)CC4=CC=CC=C4)S(=O)(=O)C5=CC=CC(=C5)F)C6=CC(=CC=C6)F

DOS

IR

Vibrations