Geometry & MOs

Info

ID:	52895
PubChem CID:	14709154
Reduced:	ClFeNSO2H18C20 (1)
Stoich.:	ABCDE2F18G20 (1)
Weight, g/mol:	583.039678
ΔH_f, kcal/mol:	42.98
Dipole, Da:	11.14
IP(EA), eV:	-7.23(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

cyclopenta-1,3-diene;dioxido-[(6R)-6-[tris(phenylsulfanyl)methyl]cyclohexa-2,4-dien-1-ylidene]azanium;iron

Drug info:

PubChemData

Smile

C[C@]([C@H]1C=CC=C[C-]1C#N)(S(=O)(=O)C2=CC=CC=C2)Cl.[CH-]1C=CC=C1.[Fe]

DOS

IR

Vibrations