Geometry & MOs

Info

ID:	124651
PubChem CID:	50890856
Reduced:	BrSCl2N3O3H12C14 (1)
Stoich.:	ABC2D3E3F12G14 (1)
Weight, g/mol:	450.90475
ΔH_f, kcal/mol:	-63.84
Dipole, Da:	4.06
IP(EA), eV:	-9.72(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations