Geometry & MOs

Info

ID:

153

PubChem CID:

2195

Reduced:

O9C32H46 (1)

Stoich.:

A9B32C46 (1)

Weight, g/mol:

574.314183

ΔHf, kcal/mol:

-415.47

Dipole, Da:

2.48

IP(EA), eV:

 -8.94(0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-(1-hydroxyethyl)-3-[5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.11,5]octadec-13-ene-7,11-dione

Drug info:

PubChemData

Smile

CC1C2CC3(C(CC(=C(O3)CC(=O)OC(CC(=O)O2)C(C)O)C)(C)C)OC1C(C)CCC(C4=CC(=CC=C4)O)OC

DOS

IR

Vibrations