Geometry & MOs

Info

ID:	2970
PubChem CID:	8974
Reduced:	ClO4N5C10H12 (1)
Stoich.:	AB4C5D10E12 (1)
Weight, g/mol:	301.057782
ΔH_f, kcal/mol:	-112.86
Dipole, Da:	3.04
IP(EA), eV:	-9.16(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=NC2=C(N=C(N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)Cl)N

DOS

IR

Vibrations