Geometry & MOs

Info

ID:	51869
PubChem CID:	12014629
Reduced:	FC6H11 (1)
Stoich.:	AB6C11 (1)
Weight, g/mol:	458.082409
ΔH_f, kcal/mol:	-56.45
Dipole, Da:	1.48
IP(EA), eV:	-10.11(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-benzoyl-3-(5,5-dioxodibenzothiophen-2-yl)-5-oxocyclohex-3-ene-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)/C=C\F

DOS

IR

Vibrations