Geometry & MOs

Info

ID:	395218
PubChem CID:	135024944
Reduced:	PN5O7C12H17 (1)
Stoich.:	AB5C7D12E17 (1)
Weight, g/mol:	375.094385
ΔH_f, kcal/mol:	-227.81
Dipole, Da:	10.43
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.763163
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CO[C@@H]1C[C@@H](O[C@@H]1COP(=O)([O-])OC)N2C=NC3=C2NC(=NC3=O)N

DOS

IR

Vibrations