Geometry & MOs

Info

ID:

218724

PubChem CID:

85089868

Reduced:

O2H14C17 (2)

Stoich.:

A2B14C17 (2)

Weight, g/mol:

500.277404

ΔHf, kcal/mol:

-23.96

Dipole, Da:

0.92

IP(EA), eV:

 -9.52(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-(2-acetyloxy-5-oxo-2H-furan-3-yl)-5-[4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-3-enyl]-3,6-dihydro-2H-pyran-6-yl] acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C(OC3(O2)C=CC4(C=C3)OC(C(O4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7

DOS

IR

Vibrations