Geometry & MOs

Info

ID:

52877

PubChem CID:

14709128

Reduced:

ClFeNSO4H17C18 (1)

Stoich.:

ABCDE4F17G18 (1)

Weight, g/mol:

313.017557

ΔHf, kcal/mol:

3.11

Dipole, Da:

6.34

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.469121

Charge, e:

 0

Chem-info

IUPAC name:

(6R)-6-[(S)-benzenesulfonyl(chloro)methyl]-N-hydroxycyclohexa-2,4-dien-1-imine oxide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations