Geometry & MOs

Info

ID:

214543

PubChem CID:

85083171

Reduced:

O8C31H46 (1)

Stoich.:

A8B31C46 (1)

Weight, g/mol:

546.355654

ΔHf, kcal/mol:

-369.2

Dipole, Da:

3.55

IP(EA), eV:

 -9.61(-1.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-(3,3-dimethyloxiran-2-yl)-3-(4,6,13-trihydroxy-7,7,12,16-tetramethyl-14-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)butyl] acetate

Drug info:

PubChemData

Smile

CCC(C)C(C(C)C1=CC(=O)C2=C(C1=O)OC3(CCC4C(C3C2OC)(CCC(O4)C(C)(C)O)C)C)OC(=O)C

DOS

IR

Vibrations