Geometry & MOs

Info

ID:	393061
PubChem CID:	135019178
Reduced:	ON2H20C28 (1)
Stoich.:	AB2C20D28 (1)
Weight, g/mol:	284.074525
ΔH_f, kcal/mol:	70.67
Dipole, Da:	3.77
IP(EA), eV:	-8.47(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-benzyl-N-ethynyl-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1CN2C(C3=CC4=CC=CC=C4C(=C3C2=O)C5=CC=CC=C5)C6=C1C7=CC=CC=C7N6

DOS

IR

Vibrations