Geometry & MOs

Info

ID:	47354
PubChem CID:	10531825
Reduced:	NOC21H24 (2)
Stoich.:	ABC21D24 (2)
Weight, g/mol:	612.141177
ΔH_f, kcal/mol:	4.3
Dipole, Da:	6.05
IP(EA), eV:	-8.89(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-(6-chloropurin-9-yl)-4-methyloxolan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

CCCC(C(=O)/C(=N/N=C(/C(=O)C(CCC1=CC=C(C=C1)C2=CC=CC=C2)CCC)\C)/C)CCC3=CC=C(C=C3)C4=CC=CC=C4

DOS

IR

Vibrations