Geometry & MOs

Info

ID:	38322
PubChem CID:	8030420
Reduced:	N3O3C21H23 (1)
Stoich.:	A3B3C21D23 (1)
Weight, g/mol:	402.032017
ΔH_f, kcal/mol:	-51.03
Dipole, Da:	7.44
IP(EA), eV:	-8.63(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-methylpyridazin-3-one

Drug info:

PubChemData

Smile

CN1C[C@@H](CC1=O)C2=NC3=CC=CC=C3N2CCOC4=CC=C(C=C4)OC

DOS

IR

Vibrations