Geometry & MOs

Info

ID:	173581
PubChem CID:	75656965
Reduced:	BrON3H18C19 (1)
Stoich.:	ABC3D18E19 (1)
Weight, g/mol:	323.122952
ΔH_f, kcal/mol:	30.05
Dipole, Da:	2.49
IP(EA), eV:	-9.12(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-(benzenesulfonamido)-1-(4-fluorophenyl)ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC(=CC=C2)Br)C3=NC4=CC=CC=C4N3

DOS

IR

Vibrations