Geometry & MOs

Info

ID:	258406
PubChem CID:	103153469
Reduced:	NSCl2O5C11H13 (1)
Stoich.:	ABC2D5E11F13 (1)
Weight, g/mol:	307.028121
ΔH_f, kcal/mol:	-199.17
Dipole, Da:	5.97
IP(EA), eV:	-10.04(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-chlorophenyl)sulfonylamino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations