Geometry & MOs

Info

ID:

170374

PubChem CID:

75222844

Reduced:

PN4O8C16H25 (1)

Stoich.:

AB4C8D16E25 (1)

Weight, g/mol:

676.876373

ΔHf, kcal/mol:

-360.71

Dipole, Da:

2.9

IP(EA), eV:

 -10.11(-1.58)

Spin(Sz, S2):

 None, None

Charge, e:

 -6

Chem-info

IUPAC name:

[[5-(2-amino-6-oxo-5H-purin-9-yl)-4-hydroxy-2-[[[[hydroxy(oxido)phosphoryl]oxy-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl]oxy-oxidophosphoryl] phosphate

Drug info:

PubChemData

Smile

CCCCCCC1=NC(=O)C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O

DOS

IR

Vibrations