Geometry & MOs

Info

ID:	241555
PubChem CID:	96023694
Reduced:	FNOSC11H14 (1)
Stoich.:	ABCDE11F14 (1)
Weight, g/mol:	227.078013
ΔH_f, kcal/mol:	-77.26
Dipole, Da:	0.68
IP(EA), eV:	-8.72(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]([C@@H]1C2=CC(=C(C=C2CCN1)F)O)S

DOS

IR

Vibrations