Geometry & MOs

Info

ID:	317500
PubChem CID:	126639510
Reduced:	ClO4N5C10H12 (1)
Stoich.:	AB4C5D10E12 (1)
Weight, g/mol:	427.021526
ΔH_f, kcal/mol:	-111.51
Dipole, Da:	13.14
IP(EA), eV:	-9.09(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(2R,5R)-5-(dichlorophosphoryloxymethyl)-3,4-dihydroxyoxolan-2-yl]-2-(dimethylamino)-3H-purin-6-one

Drug info:

PubChemData

Smile

C1=NC2=C(N1[C@H]3C(C([C@H](O3)CO)O)Cl)NC(=NC2=O)N

DOS

IR

Vibrations