Geometry & MOs

Info

ID:	139826
PubChem CID:	52602839
Reduced:	FN2S2O4H17C19 (1)
Stoich.:	AB2C2D4E17F19 (1)
Weight, g/mol:	306.101585
ΔH_f, kcal/mol:	-131.28
Dipole, Da:	6.44
IP(EA), eV:	-9.42(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxyethyl 1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(=O)N)CS(=O)(=O)CC2=CSC(=N2)COC3=CC=C(C=C3)F

DOS

IR

Vibrations