Geometry & MOs

Info

ID:	46901
PubChem CID:	10528266
Reduced:	ION6H13C19 (1)
Stoich.:	ABC6D13E19 (1)
Weight, g/mol:	468.164499
ΔH_f, kcal/mol:	162.53
Dipole, Da:	4.11
IP(EA), eV:	-8.67(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CN(C3=C2C4=NN=NN4C=N3)C5=CC=C(C=C5)I

DOS

IR

Vibrations