Geometry & MOs

Info

ID:

434446

PubChem CID:

135174932

Reduced:

SP2N10O10C20H26 (1)

Stoich.:

AB2C10D10E20F26 (1)

Weight, g/mol:

628.119628

ΔHf, kcal/mol:

-424.97

Dipole, Da:

2.22

IP(EA), eV:

 -8.56(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-(6-aminopurin-9-yl)oxolan-2-yl]methyl [2-(4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-5-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate

Drug info:

PubChemData

Smile

C1CC(OC1COP(=O)(O)O[C@@H]2CC(OC2N3C=NC4=C3NC(=NC4=S)N)COP(=O)(O)O)N5C=NC6=C(N=CN=C65)N

DOS

IR

Vibrations