Geometry & MOs

Info

ID:	298658
PubChem CID:	117653640
Reduced:	ClSN6C12H19 (1)
Stoich.:	ABC6D12E19 (1)
Weight, g/mol:	524.0669
ΔH_f, kcal/mol:	15.19
Dipole, Da:	2.48
IP(EA), eV:	-8.62(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-[(3-iodophenyl)methylamino]purin-9-yl]-N,2-dimethyloxolane-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)[C@H]1CNCCN1C2=C3C(=NC(=N2)N)SC=N3.Cl

DOS

IR

Vibrations