Geometry & MOs

Info

ID:	22672
PubChem CID:	598328
Reduced:	SC4H6N6 (1)
Stoich.:	AB4C6D6 (1)
Weight, g/mol:	170.037465
ΔH_f, kcal/mol:	128.08
Dipole, Da:	4.37
IP(EA), eV:	-8.9(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-amino-6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazole-3-thiol

Drug info:

PubChemData

Smile

CC1=NN2C(=NN=C2S)N1N

DOS

IR

Vibrations