Geometry & MOs

Info

ID:

12827

PubChem CID:

146411

Reduced:

O7C21H24 (1)

Stoich.:

A7B21C24 (1)

Weight, g/mol:

388.152203

ΔHf, kcal/mol:

-277.02

Dipole, Da:

6.39

IP(EA), eV:

 -9.65(-1.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,12S,13R,16S)-2,4,13,16-tetrahydroxy-12-methyl-16-(3-methylbutyl)-15-oxatetracyclo[11.2.1.01,10.03,8]hexadeca-3(8),4,6,9-tetraene-11,14-dione

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)C2=CC3=C(C([C@]24[C@@]([C@]1(C(=O)O4)O)(CCC(C)C)O)O)C(=CC=C3)O

DOS

IR

Vibrations