Geometry & MOs

Info

ID:

44956

PubChem CID:

10506816

Reduced:

PO3C15H15 (2)

Stoich.:

AB3C15D15 (2)

Weight, g/mol:

548.262147

ΔHf, kcal/mol:

-249.27

Dipole, Da:

6.22

IP(EA), eV:

 -9.45(-0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,2R,4S,7R,9R,11R,12S)-4-hydroxy-2-[[(E)-5-hydroxy-3-methylpent-2-enoyl]oxymethyl]-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] (2Z,4E,6R,7R)-6,7-dihydroxyocta-2,4-dienoate

Drug info:

PubChemData

Smile

C=C(P(=O)(OCC1=CC=CC=C1)OCC2=CC=CC=C2)P(=O)(OCC3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations