Geometry & MOs

Info

ID:	384320
PubChem CID:	134976771
Reduced:	PSN2O7C9H11 (1)
Stoich.:	ABC2D7E9F11 (1)
Weight, g/mol:	440.967113
ΔH_f, kcal/mol:	-304.56
Dipole, Da:	4.52
IP(EA), eV:	-10.26(-2.42)
Spin(S_z, S²):	None, None
Charge, e:	-3

Chem-info

IUPAC name:

[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl dioxidophosphinothioyl phosphate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations