Geometry & MOs

Info

ID:

18149

PubChem CID:

538574

Reduced:

O7C16H18 (2)

Stoich.:

A7B16C18 (2)

Weight, g/mol:

644.210506

ΔHf, kcal/mol:

-562.12

Dipole, Da:

4.38

IP(EA), eV:

 -10.93(-2.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-(1-acetyloxyheptyl)-10-[acetyloxy-(6-oxo-2,3-dihydropyran-2-yl)methyl]-5,7,13,15-tetraoxo-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-dien-2-yl] acetate

Drug info:

PubChemData

Smile

CCCCCCC(C1C(C2=C(CC(CC3=C1C(=O)OC3=O)C(C4CC=CC(=O)O4)OC(=O)C)C(=O)OC2=O)OC(=O)C)OC(=O)C

DOS

IR

Vibrations