Geometry & MOs

Info

ID:	413928
PubChem CID:	135086879
Reduced:	ON2H24C31 (1)
Stoich.:	AB2C24D31 (1)
Weight, g/mol:	385.11365
ΔH_f, kcal/mol:	122.61
Dipole, Da:	2.37
IP(EA), eV:	-8.32(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethynylphenyl)-4-methyl-N-[2-(4-methylphenyl)ethynyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)C2=C(C3=CC=CC=C3N2CC4=CC=CC=C4)C#CC5=CC=CC=C5

DOS

IR

Vibrations