Geometry & MOs

Info

ID:

221552

PubChem CID:

85279607

Reduced:

NSiO19C82H91 (1)

Stoich.:

ABC19D82E91 (1)

Weight, g/mol:

1502.642302

ΔHf, kcal/mol:

-639.14

Dipole, Da:

5.48

IP(EA), eV:

 -9.01(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[2-[[6-(acetyloxymethyl)-3-benzoyloxy-4,5-bis(phenylmethoxy)oxan-2-yl]oxymethyl]-5-benzoyloxy-6-(dicyclohexylmethylsulfanyl)-3-hydroxyoxan-4-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl] benzoate

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)COCC4=CC=CC=C4)(COC(=O)C5=CC=CC=C5)O)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)COCC8=CC=CC=C8)OCC[Si](C)(C)C)NC(=O)C)OCC9=CC=CC=C9)OCC1=CC=CC=C1)OCC1=CC=CC=C1

DOS

IR

Vibrations