Geometry & MOs

Info

ID:

494

PubChem CID:

2864

Reduced:

O4C17H24 (2)

Stoich.:

A4B17C24 (2)

Weight, g/mol:

584.334918

ΔHf, kcal/mol:

-325.35

Dipole, Da:

6.39

IP(EA), eV:

 -9.58(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1,3-diacetyloxy-10-hydroxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl] deca-2,4-dienoate

Drug info:

PubChemData

Smile

CCCCCC=CC=CC(=O)OC1CC2C(C(CC(C23C(OC(C3=C1)OC(=O)C)OC(=O)C)O)C)(C)CCC(=C)C=C

DOS

IR

Vibrations