Geometry & MOs

Info

ID:

18191

PubChem CID:

538839

Reduced:

O5C39H56 (1)

Stoich.:

A5B39C56 (1)

Weight, g/mol:

604.412775

ΔHf, kcal/mol:

-270.24

Dipole, Da:

4.81

IP(EA), eV:

 -9.66(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[17-(3-acetyloxy-5-ethyl-6-methylheptan-2-yl)-4,10,13-trimethyl-6-oxo-1,2,3,4,5,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] benzoate

Drug info:

PubChemData

Smile

CCC(CC(C(C)C1CCC2C1(CCC3C2=CC(=O)C4C3(CCC(C4C)OC(=O)C5=CC=CC=C5)C)C)OC(=O)C)C(C)C

DOS

IR

Vibrations