Geometry & MOs

Info

ID:	16065
PubChem CID:	458974
Reduced:	ClNSO4H8C12 (1)
Stoich.:	ABCD4E8F12 (1)
Weight, g/mol:	296.986257
ΔH_f, kcal/mol:	-37.23
Dipole, Da:	4.2
IP(EA), eV:	-10.47(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)sulfonyl-4-nitrobenzene

Drug info:

PubChemData

Smile

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations