Geometry & MOs

Info

ID:	311487
PubChem CID:	126592956
Reduced:	BrFO3N5C23H23 (1)
Stoich.:	ABC3D5E23F23 (1)
Weight, g/mol:	522.0584
ΔH_f, kcal/mol:	-65.98
Dipole, Da:	2.74
IP(EA), eV:	-9.22(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-[2-(3-bromo-4-fluorophenyl)imino-2-(hydroxyamino)acetyl]piperidin-1-yl]sulfonylcarbamate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CNC(=O)N2CCC(CC2)C(=O)C(=NC3=CC(=C(C=C3)F)Br)N)C#N

DOS

IR

Vibrations