Geometry & MOs

Info

ID:	338872
PubChem CID:	127259883
Reduced:	NSO6H11C13 (1)
Stoich.:	ABC6D11E13 (1)
Weight, g/mol:	370.94631
ΔH_f, kcal/mol:	-121.59
Dipole, Da:	8.32
IP(EA), eV:	-9.71(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-2-nitrophenyl) phenylmethanesulfonate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CS(=O)(=O)OC2=C(C=CC(=C2)[N+](=O)[O-])O

DOS

IR

Vibrations