Geometry & MOs

Info

ID:

23618

PubChem CID:

605255

Reduced:

O2C16H27 (2)

Stoich.:

A2B16C27 (2)

Weight, g/mol:

502.40221

ΔHf, kcal/mol:

-283.04

Dipole, Da:

2.27

IP(EA), eV:

 -9.72(1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[12-hydroxy-1-(2-hydroxypropan-2-yl)-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2C(CC4C3(CCC5(C4C(CC5)C(C)(C)O)C)C)O)C)C

DOS

IR

Vibrations