Geometry & MOs

Info

ID:	142664
PubChem CID:	53073521
Reduced:	ClSN3O4H16C19 (1)
Stoich.:	ABC3D4E16F19 (1)
Weight, g/mol:	397.109627
ΔH_f, kcal/mol:	-81.32
Dipole, Da:	4.39
IP(EA), eV:	-9.33(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylphenyl)-2-[3-(3-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)S(=O)(=O)C2=NN(C(=O)C=C2)CC(=O)NC3=CC=C(C=C3)Cl

DOS

IR

Vibrations