Geometry & MOs

Info

ID:	241414
PubChem CID:	96023375
Reduced:	FNOS2C13H16 (1)
Stoich.:	ABCD2E13F16 (1)
Weight, g/mol:	285.065735
ΔH_f, kcal/mol:	-66.41
Dipole, Da:	1.03
IP(EA), eV:	-8.53(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CSC(SC1)[C@H]2C3=C(CCN2)C=CC(=C3F)O

DOS

IR

Vibrations