Geometry & MOs

Info

ID:

168925

PubChem CID:

75041412

Reduced:

P4N11O20C28H51 (1)

Stoich.:

A4B11C20D28E51 (1)

Weight, g/mol:

458.047805

ΔHf, kcal/mol:

-1017.8

Dipole, Da:

15.92

IP(EA), eV:

 -8.67(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[5-(2-amino-7-methyl-6-oxo-3H-purin-9-ium-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate

Drug info:

PubChemData

Smile

CCN(CC)CC.CN1C=[N+](C2=C1C(=NC(=N2)N)[O-])C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(CP(=O)(O)OCC4C(C(C(O4)N5C=NC6C5NC(NC6=O)N)O)O)O)O)O

DOS

IR

Vibrations