Geometry & MOs

Info

ID:	253653
PubChem CID:	103119791
Reduced:	SH6N6C8 (1)
Stoich.:	AB6C6D8 (1)
Weight, g/mol:	231.057866
ΔH_f, kcal/mol:	146.44
Dipole, Da:	6.42
IP(EA), eV:	-8.86(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-methylindazol-3-yl)-1,2-dihydro-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

C1=CN2C(=C(C=N2)C3=NC(=S)NN3)C=N1

DOS

IR

Vibrations