Geometry & MOs

Info

ID:

1961

PubChem CID:

5428

Reduced:

O6C17H25 (2)

Stoich.:

A6B17C25 (2)

Weight, g/mol:

650.330227

ΔHf, kcal/mol:

-556.26

Dipole, Da:

8.98

IP(EA), eV:

 -9.5(0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-(2-methylbut-2-enoyloxy)-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] octanoate

Drug info:

PubChemData

Smile

CCCCCCCC(=O)OC1C2C(=C(C1OC(=O)C(=CC)C)C)C3C(C(CC2(C)OC(=O)C)OC(=O)CCC)(C(C(=O)O3)(C)O)O

DOS

IR

Vibrations