Geometry & MOs

Info

ID:	322119
PubChem CID:	126668724
Reduced:	SO3F4N4H22C27 (1)
Stoich.:	AB3C4D4E22F27 (1)
Weight, g/mol:	342.00772
ΔH_f, kcal/mol:	-211.91
Dipole, Da:	7.98
IP(EA), eV:	-9.47(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1-methyl-5-(4-methylsulfonylphenyl)-6-oxopyridazine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)C2=C(C=CC(=C2)C(F)(F)F)[C@@]3(CCOC4=C3C=CC(=C4)S(=O)(=O)NC5=NC=C(C=N5)F)C

DOS

IR

Vibrations