Geometry & MOs

Info

ID:	246710
PubChem CID:	103064705
Reduced:	FOSN3C12H16 (1)
Stoich.:	ABCD3E12F16 (1)
Weight, g/mol:	241.068511
ΔH_f, kcal/mol:	-65.82
Dipole, Da:	5.11
IP(EA), eV:	-8.73(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-fluoro-N-(thiolan-3-yl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCNC1=NC=CC(=C1F)C(=O)NC2CCSC2

DOS

IR

Vibrations