Geometry & MOs

Info

ID:	418410
PubChem CID:	135104584
Reduced:	FSO3N4C17H21 (1)
Stoich.:	ABC3D4E17F21 (1)
Weight, g/mol:	355.145344
ΔH_f, kcal/mol:	-117.11
Dipole, Da:	2.77
IP(EA), eV:	-8.63(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-(3,4-dimethylphenyl)sulfonyl-4-hydroxy-3-propylpiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=NC(=NC=C2)NCCS(=O)(=O)C3=CC=C(C=C3)F)O

DOS

IR

Vibrations