Geometry & MOs

Info

ID:

15357

PubChem CID:

439329

Reduced:

O6C19H24 (1)

Stoich.:

A6B19C24 (1)

Weight, g/mol:

348.157288

ΔHf, kcal/mol:

-266.47

Dipole, Da:

6.78

IP(EA), eV:

 -10.38(0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2R,5S,8S,9S,10R,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid

Drug info:

PubChemData

Smile

CC12[C@H](CC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)O)OC2=O)O

DOS

IR

Vibrations