Geometry & MOs

Info

ID:	384981
PubChem CID:	134978077
Reduced:	NPO2H30C31 (1)
Stoich.:	ABC2D30E31 (1)
Weight, g/mol:	490.956732
ΔH_f, kcal/mol:	-16.54
Dipole, Da:	4.63
IP(EA), eV:	-9.29(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1[C@H](O[P@](=O)(N1C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)CC=C)C5=CC=CC=C5

DOS

IR

Vibrations