Geometry & MOs

Info

ID:	149831
PubChem CID:	53789509
Reduced:	ClNF3O3H11C12 (1)
Stoich.:	ABC3D3E11F12 (1)
Weight, g/mol:	396.23006
ΔH_f, kcal/mol:	-217.57
Dipole, Da:	3.06
IP(EA), eV:	-9.92(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(1R,2R,4S)-3-(4-methyl-3-oxo-4-phenylpentylidene)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid

Drug info:

PubChemData

Smile

C1OC(C(O1)Cl)C(C2=CC=CC=C2)ON=CC(F)(F)F

DOS

IR

Vibrations