Geometry & MOs

Info

ID:	124765
PubChem CID:	50895507
Reduced:	NSCl3O4H12C15 (1)
Stoich.:	ABC3D4E12F15 (1)
Weight, g/mol:	420.970912
ΔH_f, kcal/mol:	-144.55
Dipole, Da:	4.65
IP(EA), eV:	-9.57(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2,4,5-trichloro-N-(4-methylphenyl)sulfonylanilino)acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)O)C2=CC(=C(C=C2Cl)Cl)Cl

DOS

IR

Vibrations