Geometry & MOs

Info

ID:

26235

PubChem CID:

641585

Reduced:

O5C32H50 (1)

Stoich.:

A5B32C50 (1)

Weight, g/mol:

568.428031

ΔHf, kcal/mol:

-291.95

Dipole, Da:

7.34

IP(EA), eV:

 -9.69(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E,4E,6E,8E,10E,12E,14E,16E,18E)-19-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-4,8,13,17-tetramethyl-1-[(1R)-1,2,2-trimethylcyclopentyl]nonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC(=O)[C@H]4[C@]3(CC[C@@H]5[C@@]4([C@@H]([C@H]([C@@H](C5(C)C)OC(=O)C)O)O)C)C)[C@H]2[C@H]1C)C)C

DOS

IR

Vibrations