Geometry & MOs

Info

ID:	59829
PubChem CID:	24898889
Reduced:	NO3C15H15 (1)
Stoich.:	AB3C15D15 (1)
Weight, g/mol:	553.311573
ΔH_f, kcal/mol:	-77.48
Dipole, Da:	5.61
IP(EA), eV:	-8.66(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-(3-hydroxypropylamino)-3H-purin-6-one

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)NC2=CC=CC=C2)C(=O)OC

DOS

IR

Vibrations