Geometry & MOs

Info

ID:	128354
PubChem CID:	51040995
Reduced:	O9H26C29 (1)
Stoich.:	A9B26C29 (1)
Weight, g/mol:	607.206698
ΔH_f, kcal/mol:	-303.57
Dipole, Da:	6.5
IP(EA), eV:	-9.94(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dibenzoyloxy-2,5-dimethyloxolan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

C[C@]1([C@H]([C@H]([C@](O1)(C)OC=O)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4

DOS

IR

Vibrations