Geometry & MOs

Info

ID:	198037
PubChem CID:	79035073
Reduced:	ClFNO3C15H15 (1)
Stoich.:	ABCD3E15F15 (1)
Weight, g/mol:	327.069592
ΔH_f, kcal/mol:	-153.79
Dipole, Da:	3.67
IP(EA), eV:	-9.9(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[2-(4-chlorophenyl)sulfanylpropanoyl]piperidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CCN([C@H](C1)C(=O)O)C(=O)C=CC2=CC(=C(C=C2)F)Cl

DOS

IR

Vibrations