Geometry & MOs

Info

ID:	213939
PubChem CID:	81065572
Reduced:	NSBr2O4C12H15 (1)
Stoich.:	ABC2D4E12F15 (1)
Weight, g/mol:	303.094057
ΔH_f, kcal/mol:	-147.56
Dipole, Da:	4.69
IP(EA), eV:	-9.63(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(5-fluoro-2-methylphenyl)sulfonylamino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNS(=O)(=O)C1=C(C=CC(=C1)Br)Br

DOS

IR

Vibrations