Geometry & MOs

Info

ID:	57590
PubChem CID:	22425634
Reduced:	ClSN2C7H9 (1)
Stoich.:	ABC2D7E9 (1)
Weight, g/mol:	224.073182
ΔH_f, kcal/mol:	30.35
Dipole, Da:	2.96
IP(EA), eV:	-8.91(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butylsulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

Drug info:

PubChemData

Smile

CC(C)SC1=NN=C(C=C1)Cl

DOS

IR

Vibrations