Geometry & MOs

Info

ID:	406069
PubChem CID:	135076447
Reduced:	NSO3C15H15 (1)
Stoich.:	ABC3D15E15 (1)
Weight, g/mol:	362.99286
ΔH_f, kcal/mol:	-55.47
Dipole, Da:	4.34
IP(EA), eV:	-9.08(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-[2-(4-bromophenyl)ethynyl]methanesulfonamide

Drug info:

PubChemData

Smile

C/C(=C\S(=O)(=O)C1=CC=CC=N1)/C2=CC=C(C=C2)OC

DOS

IR

Vibrations