Geometry & MOs

Info

ID:	424212
PubChem CID:	135121752
Reduced:	NNaO5C7H11 (1)
Stoich.:	ABC5D7E11 (1)
Weight, g/mol:	566.95455
ΔH_f, kcal/mol:	-247.39
Dipole, Da:	6.25
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.771951
Charge, e:	-2

Chem-info

IUPAC name:

disodium;[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate;hydrate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NOC1=O)C.O.[Na+]

DOS

IR

Vibrations