Geometry & MOs

Info

ID:	63047
PubChem CID:	26738224
Reduced:	FNOSH10C17 (1)
Stoich.:	ABCDE10F17 (1)
Weight, g/mol:	346.067508
ΔH_f, kcal/mol:	16.84
Dipole, Da:	4.07
IP(EA), eV:	-9.04(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-8-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]thiochromen-4-one

Drug info:

PubChemData

Smile

C1/C(=C/C2=CC=C(C=C2)C#N)/C(=O)C3=C(S1)C(=CC=C3)F

DOS

IR

Vibrations