Geometry & MOs

Info

ID:	396668
PubChem CID:	135029006
Reduced:	IH15C16 (1)
Stoich.:	AB15C16 (1)
Weight, g/mol:	256.035814
ΔH_f, kcal/mol:	68.75
Dipole, Da:	1.55
IP(EA), eV:	-9.05(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-fluoro-2-phenylthiochromen-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/C(CI)C2=CC=CC=C2

DOS

IR

Vibrations