Geometry & MOs

Info

ID:	61318
PubChem CID:	26708164
Reduced:	BrFNSO4H17C18 (1)
Stoich.:	ABCDE4F17G18 (1)
Weight, g/mol:	422.175419
ΔH_f, kcal/mol:	-162.43
Dipole, Da:	3.0
IP(EA), eV:	-9.45(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(diethylcarbamoyl)phenyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)OC3=CC=CC=C3Br

DOS

IR

Vibrations