Geometry & MOs

Info

ID:	11958
PubChem CID:	124243
Reduced:	N4O5C10H12 (1)
Stoich.:	A4B5C10D12 (1)
Weight, g/mol:	268.080769
ΔH_f, kcal/mol:	-182.78
Dipole, Da:	8.35
IP(EA), eV:	-9.54(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-3H-purine-2,6-dione

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2NC(=O)NC3=O)O)O

DOS

IR

Vibrations