Geometry & MOs

Info

ID:	77533
PubChem CID:	49650005
Reduced:	SN3O4C17H17 (1)
Stoich.:	AB3C4D17E17 (1)
Weight, g/mol:	369.088019
ΔH_f, kcal/mol:	-52.19
Dipole, Da:	9.67
IP(EA), eV:	-9.98(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]-3-cyclobutyl-3-oxopropanenitrile

Drug info:

PubChemData

Smile

CN(CC(=O)C(C#N)C(=O)C1CCC1)C2=NS(=O)(=O)C3=CC=CC=C32

DOS

IR

Vibrations