Geometry & MOs

Info

ID:	77546
PubChem CID:	49655338
Reduced:	FOSN5H14C16 (1)
Stoich.:	ABCD5E14F16 (1)
Weight, g/mol:	294.014223
ΔH_f, kcal/mol:	44.42
Dipole, Da:	7.37
IP(EA), eV:	-9.61(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-chloro-6-fluorophenyl)-3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC(=C2C(=O)NCC3=CC(=CC=C3)F)N4C=NN=N4

DOS

IR

Vibrations