Geometry & MOs

Info

ID:	213872
PubChem CID:	81065503
Reduced:	N2O3C16H20 (1)
Stoich.:	A2B3C16D20 (1)
Weight, g/mol:	329.085242
ΔH_f, kcal/mol:	-115.6
Dipole, Da:	5.09
IP(EA), eV:	-8.64(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-(2-chlorophenyl)sulfanylpropanoylamino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)CC1=CNC2=CC=CC=C21

DOS

IR

Vibrations