Geometry & MOs

Info

ID:

221532

PubChem CID:

85278817

Reduced:

O7H46C49 (1)

Stoich.:

A7B46C49 (1)

Weight, g/mol:

756.237783

ΔHf, kcal/mol:

-148.79

Dipole, Da:

2.09

IP(EA), eV:

 -9.27(0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-O,2-O-dibenzyl 3-O-methyl 6-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-3,6-dihydropyridazine-1,2,3-tricarboxylate

Drug info:

PubChemData

Smile

CC(=O)OC1C2C(OC1C(COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)OC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)OC(O2)(C)C

DOS

IR

Vibrations