Geometry & MOs

Info

ID:

402207

PubChem CID:

135054935

Reduced:

O16H62C69 (1)

Stoich.:

A16B62C69 (1)

Weight, g/mol:

2481.788871

ΔHf, kcal/mol:

-442.52

Dipole, Da:

5.78

IP(EA), eV:

 -9.38(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4,5-dibenzoyloxy-6-[[3,4,5-tribenzoyloxy-6-[[3,4,5-tribenzoyloxy-6-[(3,4,5-tribenzoyloxy-6-ethylsulfanyloxan-2-yl)methoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]-2-[[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl] benzoate

Drug info:

PubChemData

Smile

C1C2C(C(C(C(O2)OCC3C(C(C(C(O3)OCC4=CC=CC=C4C(=O)OCC5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8)OCC9=CC=CC=C9)OCC2=CC=CC=C2)OC(O1)C1=CC=CC=C1

DOS

IR

Vibrations