Geometry & MOs

Info

ID:	405300
PubChem CID:	135073446
Reduced:	ClON2C14H14 (1)
Stoich.:	ABC2D14E14 (1)
Weight, g/mol:	351.1293
ΔH_f, kcal/mol:	56.32
Dipole, Da:	5.26
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.122890
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[4-methyl-2-(4-methylphenyl)phenyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)C#C/C(=C(/C1=CC=C(C=C1)Cl)\[N+]#N)/O

DOS

IR

Vibrations