Geometry & MOs

Info

ID:	79384
PubChem CID:	49748395
Reduced:	FSN2O3C20H21 (1)
Stoich.:	ABC2D3E20F21 (1)
Weight, g/mol:	428.095454
ΔH_f, kcal/mol:	-122.05
Dipole, Da:	5.32
IP(EA), eV:	-8.37(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-6-oxo-1H-pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

C=CCCC(=O)NC1=CC2=C(CCCN2S(=O)(=O)C3=CC=C(C=C3)F)C=C1

DOS

IR

Vibrations