Geometry & MOs

Info

ID:	258408
PubChem CID:	103153473
Reduced:	NSCl3O5C11H12 (1)
Stoich.:	ABC3D5E11F12 (1)
Weight, g/mol:	237.067094
ΔH_f, kcal/mol:	-198.11
Dipole, Da:	8.41
IP(EA), eV:	-10.08(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclopropylsulfonylamino)-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNS(=O)(=O)C1=C(C=C(C=C1Cl)Cl)Cl

DOS

IR

Vibrations