Geometry & MOs

Info

ID:	413876
PubChem CID:	135086827
Reduced:	BrNSO2H14C20 (1)
Stoich.:	ABCD2E14F20 (1)
Weight, g/mol:	297.08235
ΔH_f, kcal/mol:	60.96
Dipole, Da:	4.35
IP(EA), eV:	-8.51(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-ethenylphenyl)ethynyl]-N-phenylmethanesulfonamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C#CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations