Geometry & MOs

Info

ID:	395217
PubChem CID:	135024943
Reduced:	CuLiO2C12H17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	374.08656
ΔH_f, kcal/mol:	88.33
Dipole, Da:	1.89
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.881921
Charge, e:	-1

Chem-info

IUPAC name:

[(2R,3R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-methoxyoxolan-2-yl]methyl methyl phosphate

Drug info:

PubChemData

Smile

[Li].CC(C)CC1=CC(=[C-]C(=C1)OC)OC.[Cu+]

DOS

IR

Vibrations