Geometry & MOs

Info

ID:	378660
PubChem CID:	134224754
Reduced:	O6C17H22 (1)
Stoich.:	A6B17C22 (1)
Weight, g/mol:	324.994235
ΔH_f, kcal/mol:	-235.3
Dipole, Da:	8.43
IP(EA), eV:	-9.9(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-(chloromethyl)-3-(4-sulfamoylphenyl)butanoic acid

Drug info:

PubChemData

Smile

CC(C)(C#CC[C@@](CC(=O)O)(C(O)O)O)OCC1=CC=CC=C1

DOS

IR

Vibrations