Geometry & MOs

Info

ID:

1058

PubChem CID:

3733

Reduced:

O9C41H72 (1)

Stoich.:

A9B41C72 (1)

Weight, g/mol:

708.517634

ΔHf, kcal/mol:

-519.41

Dipole, Da:

1.79

IP(EA), eV:

 -9.36(0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11,19,21-trihydroxy-22-[5-[5-(1-hydroxyethyl)-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]-4,6,8,12,14,18,20-heptamethyl-9-oxodocosa-10,16-dienoic acid

Drug info:

PubChemData

Smile

CC(CCC(=O)O)CC(C)CC(C)C(=O)C=C(C(C)CC(C)CC=CC(C)C(C(C)C(CC1CCC(O1)(C)C2CCC(O2)(C)C(C)O)O)O)O

DOS

IR

Vibrations