Geometry & MOs

Info

ID:	28866
PubChem CID:	830137
Reduced:	SH5N5C6 (1)
Stoich.:	AB5C5D6 (1)
Weight, g/mol:	289.018894
ΔH_f, kcal/mol:	118.01
Dipole, Da:	6.88
IP(EA), eV:	-8.89(-2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chlorophenyl)-3-pyrazin-2-yl-1H-1,2,4-triazole-5-thione

Drug info:

PubChemData

Smile

C1=CN=C(C=N1)C2=NC(=S)NN2

DOS

IR

Vibrations