Geometry & MOs

Info

ID:

221781

PubChem CID:

85286137

Reduced:

O11C33H48 (1)

Stoich.:

A11B33C48 (1)

Weight, g/mol:

620.298533

ΔHf, kcal/mol:

-545.13

Dipole, Da:

3.09

IP(EA), eV:

 -10.09(0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[17-acetyloxy-8-(furan-3-yl)-19-hydroxy-4-methoxy-1,9,11,16-tetramethyl-5,14-dioxapentacyclo[11.6.1.02,11.06,10.016,20]icos-9-en-12-yl] benzoate

Drug info:

PubChemData

Smile

CC1C2CCC3(C(C2(CCC1OC(=O)C)C)C(CC4C3(CC(C4(C5(CCC(=O)O5)C(=O)OC)O)OC(=O)C)C)OC(=O)C)C

DOS

IR

Vibrations