Geometry & MOs

Info

ID:	142669
PubChem CID:	53073576
Reduced:	ClFSN3O4H15C19 (1)
Stoich.:	ABCD3E4F15G19 (1)
Weight, g/mol:	475.02014
ΔH_f, kcal/mol:	-123.83
Dipole, Da:	9.68
IP(EA), eV:	-9.04(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromo-4-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=C(C=C(C=C3)Cl)F

DOS

IR

Vibrations