Geometry & MOs

Info

ID:

138561

PubChem CID:

52385307

Reduced:

O3C12H16 (2)

Stoich.:

A3B12C16 (2)

Weight, g/mol:

290.22458

ΔHf, kcal/mol:

-273.61

Dipole, Da:

6.66

IP(EA), eV:

 -9.8(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,5S,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-3,17-diol

Drug info:

PubChemData

Smile

CC1=CC(=O)C=C2[C@]1([C@@H]3[C@@H](CC2)[C@@H]4CC[C@]([C@]4(C[C@H]3O)C)(C(=O)COC(=O)C)O)C

DOS

IR

Vibrations