Geometry & MOs

Info

ID:	311533
PubChem CID:	126593590
Reduced:	BrF2O4N6C21H23 (1)
Stoich.:	AB2C4D6E21F23 (1)
Weight, g/mol:	554.06348
ΔH_f, kcal/mol:	-166.82
Dipole, Da:	8.04
IP(EA), eV:	-8.94(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3-bromo-4-fluorophenyl)imino-2-(hydroxyamino)acetyl]-N-[(4-methylsulfonylphenyl)methyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(=O)OCCN1C(=C(C=N1)NC(=O)N2CCC(CC2)C(=O)C(=NC3=CC(=C(C=C3)F)Br)N)F

DOS

IR

Vibrations