Geometry & MOs

Info

ID:

18272

PubChem CID:

539332

Reduced:

O5C14H20 (2)

Stoich.:

A5B14C20 (2)

Weight, g/mol:

536.262147

ΔHf, kcal/mol:

-426.95

Dipole, Da:

6.02

IP(EA), eV:

 -10.04(0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2,10-diacetyloxy-8-hydroxy-5-(1-hydroxyethyl)-14-methoxy-17-methyl-18-oxapentacyclo[12.3.1.01,9.04,8.012,17]octadec-5-en-4-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(C1=CCC2(C1(CC(C34C2C(CC5C3(CCC(C5)(O4)OC)C)OC(=O)C)OC(=O)C)COC(=O)C)O)O

DOS

IR

Vibrations