Geometry & MOs

Info

ID:	308454
PubChem CID:	125333153
Reduced:	SO2N6C17H20 (1)
Stoich.:	AB2C6D17E20 (1)
Weight, g/mol:	296.084416
ΔH_f, kcal/mol:	2.55
Dipole, Da:	3.55
IP(EA), eV:	-8.33(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-benzyl-3-(5-methyl-4H-pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Drug info:

PubChemData

Smile

CCC[C@@H]1NN=C(S1)NC(=O)[C@@H]2CC(=O)N(C2)C3=NNC4=CC=CC=C43

DOS

IR

Vibrations