Geometry & MOs

Info

ID:

297966

PubChem CID:

117636696

Reduced:

N5O5C10H13 (1)

Stoich.:

A5B5C10D13 (1)

Weight, g/mol:

701.253405

ΔHf, kcal/mol:

-150.73

Dipole, Da:

6.34

IP(EA), eV:

 -8.84(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,4S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-4-butoxy-2-(hydroxymethyl)oxolan-3-yl] [(2R,4S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-4-butoxy-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate

Drug info:

PubChemData

Smile

C(C1C(C(=O)C2C(O1)NC3=C(N2)C(=O)N=C(N3)N)O)O

DOS

IR

Vibrations