Geometry & MOs

Info

ID:	23326
PubChem CID:	603101
Reduced:	NSO5H8C12 (2)
Stoich.:	ABC5D8E12 (2)
Weight, g/mol:	556.024637
ΔH_f, kcal/mol:	-132.33
Dipole, Da:	3.87
IP(EA), eV:	-9.4(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(4-nitrophenyl)sulfonyloxyphenyl]phenyl] 4-nitrobenzenesulfonate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC=CC=C2OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations