Geometry & MOs

Info

ID:	124648
PubChem CID:	50890853
Reduced:	BrSCl2N3O3H12C14 (1)
Stoich.:	ABC2D3E3F12G14 (1)
Weight, g/mol:	450.90475
ΔH_f, kcal/mol:	-59.88
Dipole, Da:	4.7
IP(EA), eV:	-9.49(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations