Geometry & MOs

Info

ID:	214043
PubChem CID:	81065899
Reduced:	N2O3C7H14 (1)
Stoich.:	A2B3C7D14 (1)
Weight, g/mol:	310.098728
ΔH_f, kcal/mol:	-154.81
Dipole, Da:	1.42
IP(EA), eV:	-10.01(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2-cyanophenyl)methylsulfonylamino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)N

DOS

IR

Vibrations