Geometry & MOs

Info

ID:	20796
PubChem CID:	585736
Reduced:	ClNSO4C8H8 (1)
Stoich.:	ABCD4E8F8 (1)
Weight, g/mol:	248.986257
ΔH_f, kcal/mol:	-67.66
Dipole, Da:	3.33
IP(EA), eV:	-10.71(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(chloromethylsulfonylmethyl)-4-nitrobenzene

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CS(=O)(=O)CCl)[N+](=O)[O-]

DOS

IR

Vibrations