Geometry & MOs

Info

ID:	163706
PubChem CID:	58106743
Reduced:	IrSN3C11H14 (1)
Stoich.:	ABC3D11E14 (1)
Weight, g/mol:	301.111422
ΔH_f, kcal/mol:	190.96
Dipole, Da:	29.66
IP(EA), eV:	-9.45(-7.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-6-fluoro-4-hydroxy-6-(6-phenoxypyridin-2-yl)hex-3-en-2-one

Drug info:

PubChemData

Smile

CCC1=NN(C=N1)C(C)(C)C2=[C-]SC=C2.[Ir]

DOS

IR

Vibrations