Geometry & MOs

Info

ID:

406597

PubChem CID:

135078119

Reduced:

Cl3N3O26C52H54 (1)

Stoich.:

A3B3C26D52E54 (1)

Weight, g/mol:

1241.206112

ΔHf, kcal/mol:

-1067.56

Dipole, Da:

4.75

IP(EA), eV:

 -10.08(-1.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3,4-diacetyloxy-6-[[3,4-diacetyloxy-5-[4,5-diacetyloxy-6-(acetyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-6-(2,2,2-trichloroethanimidoyl)oxyoxan-2-yl]methoxy]-5-(1,3-dioxoisoindol-2-yl)oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(C(O1)OC(=N)C(Cl)(Cl)Cl)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)N3C(=O)C4=CC=CC=C4C3=O)OC(=O)C)OC5C(C(C(C(O5)COC(=O)C)OC(=O)C)OC(=O)C)N6C(=O)C7=CC=CC=C7C6=O

DOS

IR

Vibrations