Geometry & MOs

Info

ID:	142721
PubChem CID:	53081635
Reduced:	SCl2N4O4H20C21 (1)
Stoich.:	AB2C4D4E20F21 (1)
Weight, g/mol:	492.23727
ΔH_f, kcal/mol:	-73.24
Dipole, Da:	5.28
IP(EA), eV:	-9.04(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-propan-2-ylphenyl)-6-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]pyridazin-3-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCN(CC2)C3=NN(C(=O)C=C3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations