Geometry & MOs

Info

ID:

127963

PubChem CID:

51025031

Reduced:

NO2C11H17 (1)

Stoich.:

AB2C11D17 (1)

Weight, g/mol:

557.314123

ΔHf, kcal/mol:

-99.61

Dipole, Da:

5.96

IP(EA), eV:

 -10.03(0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2'R,5R,6'R,13'S)-17'-benzoyl-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](C1(C)C)[C@H]3[C@@H]2OC(=O)N3

DOS

IR

Vibrations