Geometry & MOs

Info

ID:

1629

PubChem CID:

4791

Reduced:

O9C35H52 (1)

Stoich.:

A9B35C52 (1)

Weight, g/mol:

616.361133

ΔHf, kcal/mol:

-390.36

Dipole, Da:

7.92

IP(EA), eV:

 -9.8(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

13-acetyloxy-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-14-tridecanoyloxytetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-diene-8-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC(=O)OC1C(C2(C(C=C(CC3(C2C=C(C3=O)C)O)C(=O)O)C4C1(C4(C)C)OC(=O)C)O)C

DOS

IR

Vibrations