Geometry & MOs

Info

ID:	52878
PubChem CID:	14709129
Reduced:	ClNSO4H12C13 (1)
Stoich.:	ABCD4E12F13 (1)
Weight, g/mol:	433.991618
ΔH_f, kcal/mol:	-33.8
Dipole, Da:	4.48
IP(EA), eV:	-8.9(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)[C@H]([C@@H]\2C=CC=C/C2=[N+](\O)/[O-])Cl

DOS

IR

Vibrations