Geometry & MOs

Info

ID:	309999
PubChem CID:	126572604
Reduced:	FO2N8H17C19 (1)
Stoich.:	AB2C8D17E19 (1)
Weight, g/mol:	418.091645
ΔH_f, kcal/mol:	-5.29
Dipole, Da:	4.38
IP(EA), eV:	-9.06(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(2R,3R,5S)-2-(6-benzamidopurin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxy-oxophosphanium

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C3=C(C=CC=N3)C(=N2)C4=NC(=C(C(=N4)N)COC(=O)N)N)F

DOS

IR

Vibrations