Geometry & MOs

Info

ID:	27231
PubChem CID:	819798
Reduced:	ClON4H7C11 (1)
Stoich.:	ABC4D7E11 (1)
Weight, g/mol:	198.003389
ΔH_f, kcal/mol:	44.09
Dipole, Da:	3.68
IP(EA), eV:	-8.74(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methylsulfanyl-5,6-dihydroimidazo[4,5-d]pyridazine-4-thione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N3C(=N2)C(=C(C=N3)N)Cl

DOS

IR

Vibrations