Geometry & MOs

Info

ID:	213996
PubChem CID:	81065634
Reduced:	NCl2O4C14H17 (1)
Stoich.:	AB2C4D14E17 (1)
Weight, g/mol:	282.103814
ΔH_f, kcal/mol:	-178.16
Dipole, Da:	3.73
IP(EA), eV:	-9.35(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2-pyridin-4-ylsulfanylacetyl)amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)C1=CC(=C(C(=C1)Cl)OC)Cl

DOS

IR

Vibrations