Geometry & MOs

Info

ID:

7654

PubChem CID:

73659

Reduced:

O2C15H24 (2)

Stoich.:

A2B15C24 (2)

Weight, g/mol:

472.35526

ΔHf, kcal/mol:

-225.19

Dipole, Da:

5.85

IP(EA), eV:

 -9.43(0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)(C[C@H]([C@@H](C3(C)C)O)O)C

DOS

IR

Vibrations