Geometry & MOs

Info

ID:

1630

PubChem CID:

4792

Reduced:

O2C9H14 (4)

Stoich.:

A2B9C14 (4)

Weight, g/mol:

616.397519

ΔHf, kcal/mol:

-389.99

Dipole, Da:

9.82

IP(EA), eV:

 -9.36(-0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[13-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] tetradecanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations