Geometry & MOs

Info

ID:	1268
PubChem CID:	4071
Reduced:	SH4N4C5 (1)
Stoich.:	AB4C4D5 (1)
Weight, g/mol:	152.015667
ΔH_f, kcal/mol:	82.5
Dipole, Da:	6.14
IP(EA), eV:	-9.47(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7H-purine-6-thiol

Drug info:

PubChemData

Smile

C1=NC2=C(N1)C(=NC=N2)S

DOS

IR

Vibrations