Geometry & MOs

Info

ID:

913

PubChem CID:

3523

Reduced:

P3N5C10O13H14 (1)

Stoich.:

A3B5C10D13E14 (1)

Weight, g/mol:

504.980097

ΔHf, kcal/mol:

-670.81

Dipole, Da:

14.89

IP(EA), eV:

 -8.96(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-(2-amino-6-oxo-3H-purin-9-yl)-2-hydroxy-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methyl phosphono hydrogen phosphate

Drug info:

PubChemData

Smile

C1=NC2=C(N1C3C4C(C(O3)COP(=O)(O)OP(=O)(O)O)OP(=O)(O4)O)NC(=NC2=O)N

DOS

IR

Vibrations