Geometry & MOs

Info

ID:	124759
PubChem CID:	50895362
Reduced:	NSCl3O4H12C15 (1)
Stoich.:	ABC3D4E12F15 (1)
Weight, g/mol:	451.94034
ΔH_f, kcal/mol:	-130.64
Dipole, Da:	5.37
IP(EA), eV:	-9.44(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4,5-trichloro-N-(2-nitrophenyl)sulfonylanilino)propanoic acid

Drug info:

PubChemData

Smile

COC(=O)CN(C1=CC(=C(C=C1Cl)Cl)Cl)S(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations