Geometry & MOs

Info

ID:

390086

PubChem CID:

134996996

Reduced:

SiO6C42H68 (1)

Stoich.:

AB6C42D68 (1)

Weight, g/mol:

1131.290269

ΔHf, kcal/mol:

-375.71

Dipole, Da:

3.8

IP(EA), eV:

 -8.9(0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4,5-dibenzoyloxy-2-[(2-chloroacetyl)oxymethyl]-6-[5-(1,3-dioxoisoindol-2-yl)-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-3-yl]oxyoxan-3-yl] benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations