Geometry & MOs

Info

ID:

44782

PubChem CID:

10505938

Reduced:

O4C33H52 (1)

Stoich.:

A4B33C52 (1)

Weight, g/mol:

512.422946

ΔHf, kcal/mol:

-144.14

Dipole, Da:

0.75

IP(EA), eV:

 -9.38(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,4aR,6aR,6bS,8aR,11R,12S,12aR,14R,14aR,14bS)-14-ethoxy-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate

Drug info:

PubChemData

Smile

CC1(C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C)OOC2(C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C(C)(C)C

DOS

IR

Vibrations