Geometry & MOs

Info

ID:	258410
PubChem CID:	103153485
Reduced:	NSCl2O5C11H13 (1)
Stoich.:	ABC2D5E11F13 (1)
Weight, g/mol:	281.093309
ΔH_f, kcal/mol:	-191.93
Dipole, Da:	8.12
IP(EA), eV:	-10.01(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-(oxolan-2-ylmethylsulfonylamino)butanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations