Geometry & MOs

Info

ID:	168858
PubChem CID:	75028711
Reduced:	S2O4N5H17C18 (1)
Stoich.:	A2B4C5D17E18 (1)
Weight, g/mol:	375.100125
ΔH_f, kcal/mol:	-47.46
Dipole, Da:	3.23
IP(EA), eV:	-8.7(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(hydroxymethyl)-5-[6-(pyridin-2-ylsulfanylmethyl)purin-9-yl]oxolane-3,4-diol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(S2)SCC3=C4C(=NC=N3)N(C=N4)C5C(C(C(O5)CO)O)O

DOS

IR

Vibrations