Geometry & MOs

Info

ID:	258399
PubChem CID:	103153437
Reduced:	NO2C5H9 (2)
Stoich.:	AB2C5D9 (2)
Weight, g/mol:	250.062343
ΔH_f, kcal/mol:	-189.92
Dipole, Da:	8.79
IP(EA), eV:	-9.88(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-cyanoethylsulfonylamino)-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)N1CCCC1

DOS

IR

Vibrations