Geometry & MOs

Info

ID:	443278
PubChem CID:	135258368
Reduced:	NOSC19H23 (1)
Stoich.:	ABCD19E23 (1)
Weight, g/mol:	519.232913
ΔH_f, kcal/mol:	0.68
Dipole, Da:	2.48
IP(EA), eV:	-8.42(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4R,5R)-3,4-diacetyloxy-5-[6-(octanoylamino)purin-9-yl]oxolan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2CCN(CC2)SCC3=CC=CC=C3

DOS

IR

Vibrations