Geometry & MOs

Info

ID:

10463

PubChem CID:

102406

Reduced:

O2C12H17 (2)

Stoich.:

A2B12C17 (2)

Weight, g/mol:

386.24571

ΔHf, kcal/mol:

-152.21

Dipole, Da:

7.86

IP(EA), eV:

 -8.53(-0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(6S,8S,9S,10R,11S,13S,14S)-11-hydroxy-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ylidene]ethyl acetate

Drug info:

PubChemData

Smile

C[C@H]1C[C@H]2[C@@H]3CCC(=CCOC(=O)C)[C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)CC4)C)O)C

DOS

IR

Vibrations