Geometry & MOs

Info

ID:	390849
PubChem CID:	135001260
Reduced:	FeOSC21H26 (1)
Stoich.:	ABCD21E26 (1)
Weight, g/mol:	382.105372
ΔH_f, kcal/mol:	134.77
Dipole, Da:	6.4
IP(EA), eV:	-7.83(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbanide;cyclopenta-1,3-diene;iron(4+);(1R)-1-[2-(4-methylphenyl)sulfanylcyclopenta-2,4-dien-1-yl]ethanol

Drug info:

PubChemData

Smile

[CH3-].[CH3-].CC1=CC=C(C=C1)SC2=CC=C[C-]2[C@H](C)O.[CH-]1C=CC=C1.[Fe+4]

DOS

IR

Vibrations