Geometry & MOs

Info

ID:	384968
PubChem CID:	134978048
Reduced:	PS2O4N5C10H13 (1)
Stoich.:	AB2C4D5E10F13 (1)
Weight, g/mol:	439.983097
ΔH_f, kcal/mol:	-152.45
Dipole, Da:	2.82
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.759686
Charge, e:	-3

Chem-info

IUPAC name:

[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphinothioyl] phosphate

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)CO)OP(=S)(O)[S-]

DOS

IR

Vibrations