Geometry & MOs

Info

ID:	241447
PubChem CID:	96023424
Reduced:	FOSN2H13C14 (1)
Stoich.:	ABCD2E13F14 (1)
Weight, g/mol:	276.073262
ΔH_f, kcal/mol:	-24.58
Dipole, Da:	2.86
IP(EA), eV:	-8.2(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1S)-6-fluoro-7-hydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-1H-pyridine-2-thione

Drug info:

PubChemData

Smile

C1CN[C@@H](C2=C1C=CC(=C2F)O)C3=CC=CNC3=S

DOS

IR

Vibrations