Geometry & MOs

Info

ID:	52887
PubChem CID:	14709144
Reduced:	ClFeNSO2H16C19 (1)
Stoich.:	ABCDE2F16G19 (1)
Weight, g/mol:	412.993963
ΔH_f, kcal/mol:	44.7
Dipole, Da:	5.82
IP(EA), eV:	-8.74(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

(6R)-6-[(R)-benzenesulfonyl(chloro)methyl]cyclohexa-2,4-diene-1-carbonitrile;cyclopenta-1,3-diene;iron

Drug info:

PubChemData

Smile

[CH-]1C=CC=C1.C1=CC=C(C=C1)S(=O)(=O)C(C2C=CC=C[C-]2C#N)Cl.[Fe]

DOS

IR

Vibrations