Geometry & MOs

Info

ID:	142720
PubChem CID:	53081577
Reduced:	SO3N4C23H26 (1)
Stoich.:	AB3C4D23E26 (1)
Weight, g/mol:	494.058232
ΔH_f, kcal/mol:	-40.57
Dipole, Da:	6.79
IP(EA), eV:	-8.58(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-2-(4-chlorophenyl)pyridazin-3-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C3=NN(C(=O)C=C3)C4=CC=CC=C4)C

DOS

IR

Vibrations