Geometry & MOs

Info

ID:

219822

PubChem CID:

85164932

Reduced:

O3C41H62 (1)

Stoich.:

A3B41C62 (1)

Weight, g/mol:

602.436652

ΔHf, kcal/mol:

-145.57

Dipole, Da:

2.05

IP(EA), eV:

 -8.71(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11'-[10-[tert-butyl(dimethyl)silyl]oxydecyl]-5'-hydroxy-13'-methylspiro[1,3-dioxolane-2,3'-2,4,6,7,8,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-17'-one

Drug info:

PubChemData

Smile

CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1=C(C=CC(=C1)O)O)CO)C)C)C)C)C)C

DOS

IR

Vibrations