Geometry & MOs

Info

ID:

1076

PubChem CID:

3757

Reduced:

O11C23H28 (1)

Stoich.:

A11B23C28 (1)

Weight, g/mol:

480.163162

ΔHf, kcal/mol:

-452.58

Dipole, Da:

5.77

IP(EA), eV:

 -9.85(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-acetyloxy-12,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=O)C(C2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C)(OC5)C(=O)OC)O)O)C)O

DOS

IR

Vibrations