Geometry & MOs

Info

ID:

147416

PubChem CID:

53787072

Reduced:

O7C13H20 (1)

Stoich.:

A7B13C20 (1)

Weight, g/mol:

416.235145

ΔHf, kcal/mol:

-271.43

Dipole, Da:

7.36

IP(EA), eV:

 -9.91(0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8S,11R,13S,14S,17S)-11-(4-hydroxyphenyl)-13-methyl-3'-methylidenespiro[1,2,4,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-oxolane]-3-one

Drug info:

PubChemData

Smile

CC1(C([C@@]1(C2[C@@]3([C@@](C3(C)C)([C@H](C(=O)O2)O)O)O)O)O)C

DOS

IR

Vibrations