Geometry & MOs

Info

ID:	124764
PubChem CID:	50895506
Reduced:	NSCl3O4H14C16 (1)
Stoich.:	ABC3D4E14F16 (1)
Weight, g/mol:	406.955262
ΔH_f, kcal/mol:	-140.96
Dipole, Da:	4.81
IP(EA), eV:	-9.3(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4,5-trichloro-N-(4-methylphenyl)sulfonylanilino)acetic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N(CC(=O)OC)S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl)Cl

DOS

IR

Vibrations