Geometry & MOs

Info

ID:	436098
PubChem CID:	135193823
Reduced:	O2F6H8C19 (1)
Stoich.:	A2B6C8D19 (1)
Weight, g/mol:	308.048487
ΔH_f, kcal/mol:	-319.98
Dipole, Da:	8.14
IP(EA), eV:	-9.72(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

18-fluoro-5,7,14-trioxapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,11,15(20),16,18-octaen-21-one

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)C(F)(F)F)C3=C(C=C2)OC4=C(C3=O)C=C(C=C4)C(F)(F)F

DOS

IR

Vibrations