Geometry & MOs

Info

ID:

59069

PubChem CID:

24770735

Reduced:

O2C15H25 (2)

Stoich.:

A2B15C25 (2)

Weight, g/mol:

348.193674

ΔHf, kcal/mol:

-240.99

Dipole, Da:

3.94

IP(EA), eV:

 -9.72(1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2S,4S,5R,9S,10R,13S)-2-hydroxy-5,9,13-trimethyl-8,14-dioxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H](C/C=C/C(C)(C)O)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)[C@H]([C@H]([C@@H](C5(C)C)O)O)O)C)C

DOS

IR

Vibrations