Geometry & MOs

Info

ID:	17663
PubChem CID:	510715
Reduced:	BrNSO6H12C16 (1)
Stoich.:	ABCD6E12F16 (1)
Weight, g/mol:	424.95687
ΔH_f, kcal/mol:	-161.84
Dipole, Da:	5.39
IP(EA), eV:	-9.81(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[(2-bromophenyl)sulfonylamino]phenyl]-2,4-dioxobutanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)CC(=O)C(=O)O)Br

DOS

IR

Vibrations