Geometry & MOs

Info

ID:	241563
PubChem CID:	96023719
Reduced:	FNOSC11H14 (1)
Stoich.:	ABCDE11F14 (1)
Weight, g/mol:	227.078013
ΔH_f, kcal/mol:	-70.92
Dipole, Da:	2.98
IP(EA), eV:	-8.94(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-6-fluoro-1-(2-sulfanylethyl)-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

C1CN[C@H](C2=C1C=CC(=C2F)O)CCS

DOS

IR

Vibrations