Geometry & MOs

Info

ID:	52894
PubChem CID:	14709153
Reduced:	ClNSO2H14C15 (1)
Stoich.:	ABCD2E14F15 (1)
Weight, g/mol:	427.009613
ΔH_f, kcal/mol:	-7.56
Dipole, Da:	5.07
IP(EA), eV:	-9.39(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

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

Drug info:

PubChemData

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C[C@@]([C@H]1C=CC=CC1C#N)(S(=O)(=O)C2=CC=CC=C2)Cl

DOS

IR

Vibrations