Geometry & MOs

Info

ID:	225080
PubChem CID:	85741469
Reduced:	ClSN4C10H11 (1)
Stoich.:	ABC4D10E11 (1)
Weight, g/mol:	262.007995
ΔH_f, kcal/mol:	75.78
Dipole, Da:	4.02
IP(EA), eV:	-9.57(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-chlorophthalazin-1-yl)-3-methyl-1,2,4-thiadiazole

Drug info:

PubChemData

Smile

CC(C)(C)C1=NSC(=N1)C2=NN=C(C=C2)Cl

DOS

IR

Vibrations