Geometry & MOs

Info

ID:

20342

PubChem CID:

583228

Reduced:

O15C34H38 (1)

Stoich.:

A15B34C38 (1)

Weight, g/mol:

686.221071

ΔHf, kcal/mol:

-588.55

Dipole, Da:

5.83

IP(EA), eV:

 -9.6(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3,4,5-triacetyloxy-6-[[5-acetyloxy-7-(acetyloxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]oxan-2-yl]methyl 3-phenylprop-2-enoate

Drug info:

PubChemData

Smile

CC(=O)OCC1=CC(C2C1C(OC=C2)OC3C(C(C(C(O3)COC(=O)C=CC4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations