Geometry & MOs

Info

ID:	413082
PubChem CID:	135086026
Reduced:	BrNOSH8C13 (1)
Stoich.:	ABCDE8F13 (1)
Weight, g/mol:	285.08235
ΔH_f, kcal/mol:	42.81
Dipole, Da:	2.04
IP(EA), eV:	-8.89(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-methylphenyl)ethynyl]-N-phenylmethanesulfonamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C(N2)C(=O)C3=CC=CS3)Br

DOS

IR

Vibrations