Geometry & MOs

Info

ID:	283037
PubChem CID:	103954661
Reduced:	FNCl2H14C15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	217.996842
ΔH_f, kcal/mol:	-24.02
Dipole, Da:	0.52
IP(EA), eV:	-9.29(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-8-chloro-7-fluoro-3,4-dihydro-1H-isothiochromen-4-ol

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1Cl)NCC2=C(C(=CC=C2)F)Cl

DOS

IR

Vibrations