Geometry & MOs

Info

ID:	179967
PubChem CID:	76559457
Reduced:	FN4O4C19H21 (1)
Stoich.:	AB4C4D19E21 (1)
Weight, g/mol:	410.132965
ΔH_f, kcal/mol:	-141.68
Dipole, Da:	1.84
IP(EA), eV:	-8.27(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3,5-bis[fluoro(phenyl)methylidene]-4-oxocyclohexyl]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C1CN(CCN1)C2=C(C=C(C=C2)N3CC(OC3=O)CNC(=O)C4=COC=C4)F

DOS

IR

Vibrations