Geometry & MOs

Info

ID:	447785
PubChem CID:	135285740
Reduced:	FSN3O6C24H28 (1)
Stoich.:	ABC3D6E24F28 (1)
Weight, g/mol:	329.97861
ΔH_f, kcal/mol:	-262.77
Dipole, Da:	3.42
IP(EA), eV:	-9.06(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[2-(2H-triazol-4-yl)ethyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C=C(C2=C1C=C(C=C2)F)C3=CC(=C(C=C3)S(=O)(=O)NCCC(=O)N)COC

DOS

IR

Vibrations