Geometry & MOs

Info

ID:	14636
PubChem CID:	416461
Reduced:	SC4H4N6 (1)
Stoich.:	AB4C4D6 (1)
Weight, g/mol:	168.021815
ΔH_f, kcal/mol:	136.77
Dipole, Da:	8.29
IP(EA), eV:	-10.02(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-7aH-triazolo[4,5-d]pyrimidine-7-thiol

Drug info:

PubChemData

Smile

C12C(=NN=N1)N=C(N=C2S)N

DOS

IR

Vibrations