Geometry & MOs

Info

ID:

219494

PubChem CID:

85148758

Reduced:

O3C9H16 (3)

Stoich.:

A3B9C16 (3)

Weight, g/mol:

516.381475

ΔHf, kcal/mol:

-476.17

Dipole, Da:

5.09

IP(EA), eV:

 -10.5(0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[17-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-3-oxo-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-yl] acetate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)OCC(C1C2(C(CCC(O2)O)(C(=O)O1)O)OCC)O

DOS

IR

Vibrations