Geometry & MOs

Info

ID:

52880

PubChem CID:

14709132

Reduced:

BrFeNSO4H17C18 (1)

Stoich.:

ABCDE4F17G18 (1)

Weight, g/mol:

477.9411

ΔHf, kcal/mol:

-5.33

Dipole, Da:

2.97

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.733542

Charge, e:

 -1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

[CH-]1C=CC=C1.C1=CC=C(C=C1)S(=O)(=O)C(C\2C=CC=C/C2=[N+](\O)/[O-])Br.[Fe]

DOS

IR

Vibrations