Geometry & MOs

Info

ID:	61116
PubChem CID:	26705811
Reduced:	SN2O5C21H22 (1)
Stoich.:	AB2C5D21E22 (1)
Weight, g/mol:	409.062947
ΔH_f, kcal/mol:	-129.49
Dipole, Da:	4.82
IP(EA), eV:	-8.67(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloroquinolin-8-yl) 1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)OC

DOS

IR

Vibrations