Geometry & MOs

Info

ID:	311491
PubChem CID:	126592960
Reduced:	BrFIN2O3H13C14 (1)
Stoich.:	ABCD2E3F13G14 (1)
Weight, g/mol:	488.06078
ΔH_f, kcal/mol:	-100.98
Dipole, Da:	5.85
IP(EA), eV:	-9.26(-2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(CC1C(=O)/C(=N/I)/NC2=CC(=C(C=C2)F)Br)CC(=O)O

DOS

IR

Vibrations