Geometry & MOs

Info

ID:

127692

PubChem CID:

51011578

Reduced:

O2C13H20 (1)

Stoich.:

A2B13C20 (1)

Weight, g/mol:

593.29528

ΔHf, kcal/mol:

-103.86

Dipole, Da:

1.89

IP(EA), eV:

-9.56(0.31)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(2'R,5R,6'R,13'S)-17'-(3,4-difluorobenzoyl)-13'-hydroxy-6',10'-dimethyl-3-[[(2S)-oxolan-2-yl]methyl]spiro[1,3-oxazolidine-5,5'-tricyclo[13.2.2.02,6]nonadeca-1(17),9,15,18-tetraene]-2-one

Drug info:

PubChemData

Smile

C[C@@]12CC[C@@H](C[C@H]1CC=O)C(C2=O)(C)C

DOS

IR

Vibrations