Geometry & MOs

Info

ID:

46881

PubChem CID:

10528104

Reduced:

SO10H20C21 (1)

Stoich.:

AB10C20D21 (1)

Weight, g/mol:

464.204633

ΔHf, kcal/mol:

-342.24

Dipole, Da:

4.56

IP(EA), eV:

 -10.15(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R,2S,3S,4R,5R,8S,9R,10S,12Z,14S,17R)-9-acetyloxy-2,5-dihydroxy-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.01,17.03,8]octadeca-6,12-dien-10-yl] acetate

Drug info:

PubChemData

Smile

CO[C@@H]1[C@@H]([C@H]([C@H]2[C@H](O1)COS(=O)(=O)O2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

DOS

IR

Vibrations