Geometry & MOs

Info

ID:

21604

PubChem CID:

589185

Reduced:

O5C32H54 (1)

Stoich.:

A5B32C54 (1)

Weight, g/mol:

518.397125

ΔHf, kcal/mol:

-317.58

Dipole, Da:

4.39

IP(EA), eV:

 -9.15(0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-hydroxy-2-[3-hydroxy-13-(hydroxymethyl)-4,4,10,14-tetramethyl-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylheptan-4-yl] acetate

Drug info:

PubChemData

Smile

CC(C)CC(CC(C)(C1CCC2(C1(CC=C3C2CCC4C3(CCC(C4(C)C)O)C)CO)C)O)OC(=O)C

DOS

IR

Vibrations