Geometry & MOs

Info

ID:

329288

PubChem CID:

126734098

Reduced:

O26C81H84 (1)

Stoich.:

A26B81C84 (1)

Weight, g/mol:

1490.550904

ΔHf, kcal/mol:

-966.74

Dipole, Da:

4.9

IP(EA), eV:

 -9.61(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3,4,5-tribenzoyloxy-6-[6-dec-9-enoxy-3,5,6-trihydroxy-2-methyl-4-[3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxyhexoxy]oxan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

CC(COC1C(C(C(C(O1)COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)C(C(C(C(O)OCCCCCCCCC(=O)O)OC(=O)C)OC6C(C(CC(O6)COC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8)OC(=O)C9=CC=CC=C9)OC(=O)C

DOS

IR

Vibrations