Geometry & MOs

Info

ID:	52886
PubChem CID:	14709143
Reduced:	ClNSO4C14H14 (1)
Stoich.:	ABCD4E14F14 (1)
Weight, g/mol:	412.993963
ΔH_f, kcal/mol:	-40.86
Dipole, Da:	5.28
IP(EA), eV:	-8.91(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@]([C@@H]\1C=CC=C/C1=[N+](\O)/[O-])(S(=O)(=O)C2=CC=CC=C2)Cl

DOS

IR

Vibrations