Geometry & MOs

Info

ID:	436103
PubChem CID:	135193841
Reduced:	F3O4H9C19 (1)
Stoich.:	A3B4C9D19 (1)
Weight, g/mol:	334.047738
ΔH_f, kcal/mol:	-226.71
Dipole, Da:	5.02
IP(EA), eV:	-8.95(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7,14,17,19-pentaoxahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-1(13),2,4(8),9,11,15(23),16(20),21-octaen-24-one

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C3C(=C2)C=CC4=C3C(=O)C5=C(C=CC=C5O4)C(F)(F)F

DOS

IR

Vibrations