Geometry & MOs

Info

ID:	25239
PubChem CID:	621160
Reduced:	SN3O3H13C18 (1)
Stoich.:	AB3C3D13E18 (1)
Weight, g/mol:	260.087101
ΔH_f, kcal/mol:	57.81
Dipole, Da:	4.16
IP(EA), eV:	-8.92(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-dimethyl-2-(3-methylphenyl)sulfonylbenzene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2N=CC3=CC=C(S3)[N+](=O)[O-]

DOS

IR

Vibrations