Geometry & MOs

Info

ID:

17389

PubChem CID:

495485

Reduced:

O5C33H52 (1)

Stoich.:

A5B33C52 (1)

Weight, g/mol:

528.381475

ΔHf, kcal/mol:

-303.61

Dipole, Da:

3.36

IP(EA), eV:

 -9.77(0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 8a-(acetyloxymethyl)-2,4a,6a,6a,9,14a-hexamethyl-10-oxo-3,4,5,6,6b,7,8,9,11,12,12a,13,14,14b-tetradecahydro-1H-picene-2-carboxylate

Drug info:

PubChemData

Smile

CC1C(=O)CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C(=O)OC)C)C)C)C)COC(=O)C

DOS

IR

Vibrations