Geometry & MOs

Info

ID:	55738
PubChem CID:	17396228
Reduced:	BrFNSO6H11C15 (1)
Stoich.:	ABCDE6F11G15 (1)
Weight, g/mol:	452.85043
ΔH_f, kcal/mol:	-232.97
Dipole, Da:	5.28
IP(EA), eV:	-9.97(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,5-dibromophenyl)sulfonylamino]-4-fluorobenzoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations