Geometry & MOs

Info

ID:	54683
PubChem CID:	17389094
Reduced:	SN4O4H16C24 (1)
Stoich.:	AB4C4D16E24 (1)
Weight, g/mol:	623.87346
ΔH_f, kcal/mol:	85.37
Dipole, Da:	5.43
IP(EA), eV:	-9.0(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromophenyl) 4-[4-(4-bromophenoxy)sulfonylphenyl]benzenesulfonate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(OC(=N2)SCC3=NN=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

DOS

IR

Vibrations