Geometry & MOs

Info

ID:

18380

PubChem CID:

540045

Reduced:

O13C29H38 (1)

Stoich.:

A13B29C38 (1)

Weight, g/mol:

594.231241

ΔHf, kcal/mol:

-567.38

Dipole, Da:

6.25

IP(EA), eV:

 -10.04(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl] 5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoate

Drug info:

PubChemData

Smile

CC1=CC(=O)CC(C1(C=CC(=CC(=O)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C)O)(C)C

DOS

IR

Vibrations