Geometry & MOs

Info

ID:	311441
PubChem CID:	126592895
Reduced:	BrFO3N6C23H26 (1)
Stoich.:	ABC3D6E23F26 (1)
Weight, g/mol:	482.04235
ΔH_f, kcal/mol:	-70.04
Dipole, Da:	5.13
IP(EA), eV:	-8.72(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(3-bromo-4-fluorophenyl)-2-oxo-2-[1-(4-sulfamoylphenyl)piperidin-4-yl]ethanimidamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)C(=NC2=CC(=C(C=C2)F)Br)N)C(=O)NC3=CN=C(C=C3)OCC4(CC4)N

DOS

IR

Vibrations