Geometry & MOs

Info

ID:	15520
PubChem CID:	443235
Reduced:	O4N5C10H13 (1)
Stoich.:	A4B5C10D13 (1)
Weight, g/mol:	267.096754
ΔH_f, kcal/mol:	-84.99
Dipole, Da:	3.62
IP(EA), eV:	-8.56(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4R,5R)-2-(6-amino-1,4-dihydropurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-one

Drug info:

PubChemData

Smile

C1=NC2C(=C(N1)N)N=CN2[C@H]3C(=O)[C@@H]([C@H](O3)CO)O

DOS

IR

Vibrations