Geometry & MOs

Info

ID:	271718
PubChem CID:	103689530
Reduced:	FN2O3C10H11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	268.029347
ΔH_f, kcal/mol:	-142.46
Dipole, Da:	3.69
IP(EA), eV:	-10.43(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OC)NC(=O)C1=C(C=NC=C1)F

DOS

IR

Vibrations