Geometry & MOs

Info

ID:

222913

PubChem CID:

85333127

Reduced:

O4C19H19 (2)

Stoich.:

A4B19C19 (2)

Weight, g/mol:

622.299336

ΔHf, kcal/mol:

-152.93

Dipole, Da:

4.08

IP(EA), eV:

 -8.86(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-hydroxy-6,14,18-trimethyl-9,16-dioxo-4,17-bis(trimethylsilyloxy)-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] 3-methylbutanoate

Drug info:

PubChemData

Smile

CCOC(CC1=CC=C(C=C1)OCC=CC#CC2=CC=C(C=C2)C#CC=CCOC3=CC=C(C=C3)CCOCCC(=O)O)C(=O)O

DOS

IR

Vibrations