Geometry & MOs

Info

ID:	52882
PubChem CID:	14709137
Reduced:	BrNSO4H12C13 (1)
Stoich.:	ABCD4E12F13 (1)
Weight, g/mol:	327.033207
ΔH_f, kcal/mol:	-22.65
Dipole, Da:	4.58
IP(EA), eV:	-8.88(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-(benzenesulfonyl)-1-chloroethyl]-N-hydroxycyclohexa-2,4-dien-1-imine oxide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations