Geometry & MOs

Info

ID:

24291

PubChem CID:

609112

Reduced:

O5C31H50 (1)

Stoich.:

A5B31C50 (1)

Weight, g/mol:

502.365825

ΔHf, kcal/mol:

-294.72

Dipole, Da:

4.32

IP(EA), eV:

 -9.19(1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

Drug info:

PubChemData

Smile

CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1)C)C(=O)OC)C

DOS

IR

Vibrations