Geometry & MOs

Info

ID:	249213
PubChem CID:	103087787
Reduced:	NO2S2C12H19 (1)
Stoich.:	AB2C2D12E19 (1)
Weight, g/mol:	354.984813
ΔH_f, kcal/mol:	-72.61
Dipole, Da:	8.09
IP(EA), eV:	-8.66(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CSCCCCNC1=CC(=CC=C1)S(=O)(=O)C

DOS

IR

Vibrations