Geometry & MOs

Info

ID:

215570

PubChem CID:

85084919

Reduced:

O4H14F30C33 (1)

Stoich.:

A4B14C30D33 (1)

Weight, g/mol:

1044.404455

ΔHf, kcal/mol:

-1605.92

Dipole, Da:

7.68

IP(EA), eV:

-10.06(-1.82)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[5-(1,3-dioxoisoindol-2-yl)-3-[3-(1,3-dioxoisoindol-2-yl)-5-hydroxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,6-bis(phenylmethoxy)oxan-2-yl]methyl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

COC(=C(C(=C(C(F)(F)F)OC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC(=C(C(=C(C(F)(F)F)OC)C(F)(F)F)C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations