Geometry & MOs

Info

ID:	385006
PubChem CID:	134978133
Reduced:	NaSO4C11H13 (6)
Stoich.:	ABC4D11E13 (6)
Weight, g/mol:	332.120115
ΔH_f, kcal/mol:	-1440.0
Dipole, Da:	21.08
IP(EA), eV:	-7.29(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dinaphthalen-2-ylcyclopenta-2,4-dien-1-one

Drug info:

Smile

CCCCC1=CC2=C(C(=C1)CC3=CC(=CC(=C3OS(=O)(=O)[O-])CC4=CC(=CC(=C4OS(=O)(=O)[O-])CC5=CC(=CC(=C5OS(=O)(=O)[O-])CC6=C(C(=CC(=C6)CCCC)CC7=C(C(=CC(=C7)CCCC)C2)OS(=O)(=O)[O-])OS(=O)(=O)[O-])CCCC)CCCC)CCCC)OS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

DOS

IR

Vibrations