Geometry & MOs

Info

ID:	314867
PubChem CID:	126623845
Reduced:	FS2O4N6H31C34 (1)
Stoich.:	AB2C4D6E31F34 (1)
Weight, g/mol:	218.042232
ΔH_f, kcal/mol:	-76.97
Dipole, Da:	4.5
IP(EA), eV:	-8.49(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-fluoro-3-(4-fluoropyrrolidin-2-yl)pyridine

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=CC3=C(C=C2)N(C(=O)N3)CS(=O)(=O)N4CCCCC[C@H]4C(=O)NC5=CC=CC(=C5F)C6=CSC7=CC=CC=C76

DOS

IR

Vibrations