Geometry & MOs

Info

ID:	384321
PubChem CID:	134976773
Reduced:	SP2N4C10O10H11 (1)
Stoich.:	AB2C4D10E10F11 (1)
Weight, g/mol:	424.972198
ΔH_f, kcal/mol:	-389.39
Dipole, Da:	10.9
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.874062
Charge, e:	-3

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=NC(=O)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=S)([O-])[O-])O)O

DOS

IR

Vibrations