Geometry & MOs

Info

ID:

215239

PubChem CID:

85084412

Reduced:

NPSi2O4C46H54 (1)

Stoich.:

ABC2D4E46F54 (1)

Weight, g/mol:

772.221464

ΔHf, kcal/mol:

-171.94

Dipole, Da:

2.96

IP(EA), eV:

 -9.01(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4,5,7,12-tetraacetyloxy-6-(acetyloxymethyl)-10-(benzoyloxymethyl)-2-hydroxy-2,10-dimethyl-8-oxo-11-oxatricyclo[7.2.1.01,6]dodecan-3-yl] furan-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC3CN4C(C3O[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C)C7C(O4)CCP7(=O)C8=CC=CC=C8

DOS

IR

Vibrations