Geometry & MOs

Info

ID:	52883
PubChem CID:	14709139
Reduced:	ClNSO4C14H14 (1)
Stoich.:	ABCD4E14F14 (1)
Weight, g/mol:	448.007268
ΔH_f, kcal/mol:	-40.79
Dipole, Da:	5.85
IP(EA), eV:	-8.92(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(6R)-6-[(1R)-1-(benzenesulfonyl)-1-chloroethyl]-N-hydroxycyclohexa-2,4-dien-1-imine oxide;cyclopenta-1,3-diene;iron

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations