Geometry & MOs

Info

ID:

22664

PubChem CID:

598309

Reduced:

O5C9H12 (3)

Stoich.:

A5B9C12 (3)

Weight, g/mol:

600.20542

ΔHf, kcal/mol:

-673.05

Dipole, Da:

3.97

IP(EA), eV:

 -9.45(0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3,4,5-triacetyloxy-6-[(5,7-diacetyloxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl)oxy]oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(C(O1)OC2C3C(C=CO2)C(CC3(C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations