Geometry & MOs

Info

ID:	434162
PubChem CID:	135174325
Reduced:	NPO5C6H16 (1)
Stoich.:	ABC5D6E16 (1)
Weight, g/mol:	642.122702
ΔH_f, kcal/mol:	-306.92
Dipole, Da:	3.08
IP(EA), eV:	-9.41(0.38)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[5-(4-aminoimidazo[4,5-c]pyridin-1-yl)-2-[[[2-(2-amino-6-oxo-3H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxy-oxophosphanium

Drug info:

PubChemData

Smile

CC(CCC(COP(=O)(O)O)O)N

DOS

IR

Vibrations