Geometry & MOs

Info

ID:	261418
PubChem CID:	103232526
Reduced:	NSO2C15H15 (1)
Stoich.:	ABC2D15E15 (1)
Weight, g/mol:	308.119464
ΔH_f, kcal/mol:	-35.46
Dipole, Da:	4.31
IP(EA), eV:	-8.46(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-methylsulfanylanilino)acetyl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)NCC2=CC(=CC=C2)C(=O)O

DOS

IR

Vibrations