Geometry & MOs

Info

ID:	168857
PubChem CID:	75028710
Reduced:	SN4O4C11H14 (1)
Stoich.:	AB4C4D11E14 (1)
Weight, g/mol:	431.072196
ΔH_f, kcal/mol:	-106.49
Dipole, Da:	3.04
IP(EA), eV:	-9.0(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(1,3-benzothiazol-2-ylsulfanylmethyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)CS

DOS

IR

Vibrations