Geometry & MOs

Info

ID:

13552

PubChem CID:

246875

Reduced:

O2C13H17 (2)

Stoich.:

A2B13C17 (2)

Weight, g/mol:

410.24571

ΔHf, kcal/mol:

-200.0

Dipole, Da:

5.01

IP(EA), eV:

 -8.7(0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S,4aS,4bS,6aS,11aS,11bR,13aS)-7-hydroxy-4a,6a,9-trimethyl-6-oxo-1,2,3,4,4b,5,11,11a,11b,12,13,13a-dodecahydroindeno[2,1-a]phenanthren-2-yl] acetate

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)O)[C@@]3([C@@H](C2)[C@@H]4CC[C@H]5C[C@H](CC[C@@]5([C@H]4CC3=O)C)OC(=O)C)C

DOS

IR

Vibrations