Geometry & MOs

Info

ID:	6177
PubChem CID:	67358
Reduced:	N5O5C10H13 (1)
Stoich.:	A5B5C10D13 (1)
Weight, g/mol:	283.091669
ΔH_f, kcal/mol:	-116.64
Dipole, Da:	1.57
IP(EA), eV:	-8.99(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4S,5R)-2-(6-amino-7-oxidopurin-7-ium-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

C1=NC(=C2C(=N1)N(C=[N+]2[O-])[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N

DOS

IR

Vibrations