Geometry & MOs

Info

ID:

10295

PubChem CID:

99929

Reduced:

O11C29H38 (1)

Stoich.:

A11B29C38 (1)

Weight, g/mol:

562.241412

ΔHf, kcal/mol:

-239.0

Dipole, Da:

5.85

IP(EA), eV:

 -9.85(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

16-hydroxy-19-(1-hydroxyethyl)-6,15,27-trimethylspiro[2,5,11,14,18,25-hexaoxahexacyclo[24.2.1.03,9.04,6.09,27.013,15]nonacosa-20,22-diene-28,2'-oxirane]-12,24-dione

Drug info:

PubChemData

Smile

CC(C1C=CC=CC(=O)OC2CC3C4(C2(C5(CCC6(C(C5O3)O6)C)COC(=O)C7C(O7)(C(CO1)O)C)C)CO4)O

DOS

IR

Vibrations