Geometry & MOs

Info

ID:	384967
PubChem CID:	134978047
Reduced:	PS2N3O5C9H13 (1)
Stoich.:	AB2C3D5E9F13 (1)
Weight, g/mol:	362.014658
ΔH_f, kcal/mol:	-236.44
Dipole, Da:	3.76
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.759625
Charge, e:	-1

Chem-info

IUPAC name:

[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-[hydroxy(sulfido)phosphinothioyl]oxyoxolan-2-yl]methanol

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)OP(=S)(O)[S-]

DOS

IR

Vibrations