Geometry & MOs

Info

ID:	436114
PubChem CID:	135193870
Reduced:	FO4H9C18 (1)
Stoich.:	AB4C9D18 (1)
Weight, g/mol:	304.073559
ΔH_f, kcal/mol:	-111.96
Dipole, Da:	2.53
IP(EA), eV:	-9.04(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C3C(=C2)C=CC4=C3OC5=C(C4=O)C=CC=C5F

DOS

IR

Vibrations