Geometry & MOs

Info

ID:	428540
PubChem CID:	135167599
Reduced:	F3O3H11C19 (1)
Stoich.:	A3B3C11D19 (1)
Weight, g/mol:	334.047738
ΔH_f, kcal/mol:	-208.12
Dipole, Da:	6.59
IP(EA), eV:	-8.99(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5,7,18,20-pentaoxahexacyclo[11.11.0.03,11.04,8.015,23.017,21]tetracosa-1(13),3(11),4(8),9,14,16,21,23-octaen-12-one

Drug info:

PubChemData

Smile

COC1=CC=CC2=CC3=C(C=C21)C(=O)C4=C(O3)C=CC(=C4)C(F)(F)F

DOS

IR

Vibrations