Geometry & MOs

Info

ID:	61371
PubChem CID:	26708662
Reduced:	FS2O3N4H21C23 (1)
Stoich.:	AB2C3D4E21F23 (1)
Weight, g/mol:	466.085484
ΔH_f, kcal/mol:	-57.58
Dipole, Da:	6.94
IP(EA), eV:	-8.95(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[3-(1,3-dithiolan-2-yl)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N=C2N(C=CS2)CC3=CC=CC=C3F)S(=O)(=O)C4=CC=C(C=C4)C#N

DOS

IR

Vibrations