Geometry & MOs

Info

ID:	434017
PubChem CID:	135174170
Reduced:	PO4N5C19H20 (1)
Stoich.:	AB4C5D19E20 (1)
Weight, g/mol:	432.099229
ΔH_f, kcal/mol:	-116.39
Dipole, Da:	5.76
IP(EA), eV:	-8.68(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-chloro-hydroxy-naphthalen-1-yloxyphosphanium

Drug info:

PubChemData

Smile

C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)OC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations