Geometry & MOs

Info

ID:	311519
PubChem CID:	126592993
Reduced:	BrFSN4O4C13H16 (1)
Stoich.:	ABCD4E4F13G16 (1)
Weight, g/mol:	432.0267
ΔH_f, kcal/mol:	-116.47
Dipole, Da:	4.81
IP(EA), eV:	-9.37(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(3-bromo-4-fluorophenyl)-2-oxo-2-[(1R,5S)-8-sulfamoyl-8-azabicyclo[3.2.1]octan-3-yl]ethanimidamide

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)S(=O)(=O)N)C(=O)C(=NC2=CC(=C(C=C2)F)Br)NO

DOS

IR

Vibrations