Geometry & MOs

Info

ID:	2324
PubChem CID:	6803
Reduced:	SO4N5C10H13 (1)
Stoich.:	AB4C5D10E13 (1)
Weight, g/mol:	299.068825
ΔH_f, kcal/mol:	-105.29
Dipole, Da:	3.18
IP(EA), eV:	-8.93(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4S,5R)-2-(2-amino-6-sulfanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(N=C2S)N

DOS

IR

Vibrations