Geometry & MOs

Info

ID:	434453
PubChem CID:	135174969
Reduced:	PN2O5C6H13 (1)
Stoich.:	AB2C5D6E13 (1)
Weight, g/mol:	644.114542
ΔH_f, kcal/mol:	-271.37
Dipole, Da:	5.22
IP(EA), eV:	-9.41(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] [5-(4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methyl hydrogen phosphate

Drug info:

PubChemData

Smile

C1CC(OC1COP(=O)(O)O)/N=C/N

DOS

IR

Vibrations