Geometry & MOs

Info

ID:

127956

PubChem CID:

51024857

Reduced:

OC7H10 (3)

Stoich.:

AB7C10 (3)

Weight, g/mol:

751.234607

ΔHf, kcal/mol:

-151.72

Dipole, Da:

6.33

IP(EA), eV:

 -9.68(0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2'R,5R,6'R,13'S)-17'-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carbonyl]-13'-hydroxy-6',10'-dimethyl-3-(2-thiophen-2-ylethyl)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@]12CCC(=O)C=C1CCC3C2C(C[C@]\4(C3CC/C4=C\CO)C)O

DOS

IR

Vibrations