Geometry & MOs

Info

ID:	124775
PubChem CID:	50895564
Reduced:	NSCl3O3C18H18 (1)
Stoich.:	ABC3D3E18F18 (1)
Weight, g/mol:	476.874367
ΔH_f, kcal/mol:	-109.41
Dipole, Da:	4.58
IP(EA), eV:	-9.42(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations