Geometry & MOs

Info

ID:	161825
PubChem CID:	57392787
Reduced:	N3O6H23C30 (1)
Stoich.:	A3B6C23D30 (1)
Weight, g/mol:	624.196862
ΔH_f, kcal/mol:	-24.22
Dipole, Da:	11.03
IP(EA), eV:	-9.26(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC3=C(C(=CC(=O)O3)/C=N\NC4=CC=C(C=C4)[N+](=O)[O-])C(=C2)OCC5=CC=CC=C5

DOS

IR

Vibrations