Geometry & MOs

Info

ID:

224517

PubChem CID:

85344326

Reduced:

SiO12C72H76 (1)

Stoich.:

AB12C72D76 (1)

Weight, g/mol:

1164.471865

ΔHf, kcal/mol:

-316.05

Dipole, Da:

3.71

IP(EA), eV:

 -9.14(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-[[3-benzoyloxy-5-[(3-benzoyloxy-5-formyl-4-phenylmethoxyoxolan-2-yl)oxymethyl]-4-phenylmethoxyoxolan-2-yl]oxymethyl]-2-(9-methoxy-9-oxononoxy)-4-phenylmethoxyoxolan-3-yl] benzoate

Drug info:

PubChemData

Smile

COC1C(C(C(C(O1)C(C=C)O[Si](C2=CC=CC=C2)(C3=CC=CC=C3)OC(C=C)C4C(C(C(C(O4)OC)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9)OCC1=CC=CC=C1

DOS

IR

Vibrations