Geometry & MOs

Info

ID:

17702

PubChem CID:

513137

Reduced:

SO5C21H32 (1)

Stoich.:

AB5C21D32 (1)

Weight, g/mol:

396.197045

ΔHf, kcal/mol:

-215.5

Dipole, Da:

5.69

IP(EA), eV:

 -8.73(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,9S,14S)-14-ethyl-5-hydroxy-5-(hydroxymethyl)-3,9,13-trimethyl-11-methylidene-7-methylsulfanyl-1-oxacyclotetradeca-7,12-diene-2,4-dione

Drug info:

PubChemData

Smile

CC[C@H]1C(=CC(=C)C[C@@H](C=C(CC(C(=O)[C@H](C(=O)O1)C)(CO)O)SC)C)C

DOS

IR

Vibrations