Geometry & MOs

Info

ID:	61278
PubChem CID:	26707897
Reduced:	BrClFNO3H12C15 (1)
Stoich.:	ABCDE3F12G15 (1)
Weight, g/mol:	472.158055
ΔH_f, kcal/mol:	-121.53
Dipole, Da:	3.35
IP(EA), eV:	-8.38(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(diethylsulfamoyl)-2-methylphenyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1NC(=O)C2=C(C=C(C=C2)Br)F)OC)Cl

DOS

IR

Vibrations