Geometry & MOs

Info

ID:	56145
PubChem CID:	17422181
Reduced:	ClSO2N4C17H21 (1)
Stoich.:	ABC2D4E17F21 (1)
Weight, g/mol:	454.022405
ΔH_f, kcal/mol:	-55.29
Dipole, Da:	6.72
IP(EA), eV:	-9.08(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-fluoro-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC2=NN=C(CS2)C3=CC4=C(C=C3)NC(=O)O4.Cl

DOS

IR

Vibrations