Geometry & MOs

Info

ID:

214801

PubChem CID:

85083666

Reduced:

SCl3N4O5H25C26 (1)

Stoich.:

AB3C4D5E25F26 (1)

Weight, g/mol:

612.053596

ΔHf, kcal/mol:

-153.74

Dipole, Da:

6.54

IP(EA), eV:

 -8.58(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[5-[2-amino-6-(benzylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

Drug info:

PubChemData

Smile

CC(=O)OS(=O)(=O)N(CC=CC1=CC(=CC=C1)C(=N)N)C2=CC(=C(C=C2)OC3=CC4=CC=CN4C=C3)Cl.Cl.Cl

DOS

IR

Vibrations