Geometry & MOs

Info

ID:

18385

PubChem CID:

540075

Reduced:

N2O15C30H35 (2)

Stoich.:

A2B15C30D35 (2)

Weight, g/mol:

1326.407487

ΔHf, kcal/mol:

-1200.43

Dipole, Da:

7.39

IP(EA), eV:

 -8.7(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4,5-diacetyloxy-3-[3,4-diacetyloxy-6-(acetyloxymethyl)-5-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[2,3-diacetyloxy-3-(1-phenylpyrazolo[4,3-b]quinoxalin-3-yl)propoxy]oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(C(O1)OCC(C(C2=NN(C3=NC4=CC=CC=C4N=C23)C5=CC=CC=C5)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC6C(C(C(C(O6)COC(=O)C)OC7C(C(C(C(O7)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations