Geometry & MOs

Info

ID:

215424

PubChem CID:

85084713

Reduced:

FN7O10C48H48 (1)

Stoich.:

AB7C10D48E48 (1)

Weight, g/mol:

902.27054

ΔHf, kcal/mol:

-235.54

Dipole, Da:

8.48

IP(EA), eV:

 -9.11(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 4,5-diacetyloxy-2-[9-[3,4-diacetyloxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxopurin-1-yl]-6-(1,2,3-triacetyloxypropyl)oxane-2-carboxylate

Drug info:

PubChemData

Smile

CN(C)C=NC1=NC(=O)C2C(=N1)N(C=N2)C3C(C(C(O3)COC(=O)CCC(=O)O)OC4(C5=CC=CC=C5OC6=CC=CC=C64)C7=CC=CC=C7)OC8(CCN(CC8)C9=CC=CC=C9F)OC

DOS

IR

Vibrations