Geometry & MOs

Info

ID:	424933
PubChem CID:	135124488
Reduced:	SN3O6C16H23 (1)
Stoich.:	AB3C6D16E23 (1)
Weight, g/mol:	324.97836
ΔH_f, kcal/mol:	-136.36
Dipole, Da:	5.94
IP(EA), eV:	-9.98(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-fluoro-N-[(2R)-2-hydroxybutyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)O)CN(CC1CC1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations