Geometry & MOs

Info

ID:	213890
PubChem CID:	81065521
Reduced:	FNO4C15H20 (1)
Stoich.:	ABC4D15E20 (1)
Weight, g/mol:	329.085242
ΔH_f, kcal/mol:	-215.08
Dipole, Da:	2.68
IP(EA), eV:	-9.05(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-(4-chlorophenyl)sulfanylpropanoylamino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)CCOC1=CC=CC=C1F

DOS

IR

Vibrations