Geometry & MOs

Info

ID:	406260
PubChem CID:	135077049
Reduced:	FeO4C14H20 (1)
Stoich.:	AB4C14D20 (1)
Weight, g/mol:	596.02607
ΔH_f, kcal/mol:	175.57
Dipole, Da:	8.42
IP(EA), eV:	-5.5(-2.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1,2-dichloro-4,4-bis(naphthalen-2-ylsulfanyl)buta-1,3-dienyl]sulfanylnaphthalene

Drug info:

PubChemData

Smile

[CH3-].CC1CC(CC(=O)[C-](C1)C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe+2]

DOS

IR

Vibrations