Geometry & MOs

Info

ID:	311528
PubChem CID:	126593577
Reduced:	O2N3C5H11 (1)
Stoich.:	A2B3C5D11 (1)
Weight, g/mol:	470.0965
ΔH_f, kcal/mol:	-99.91
Dipole, Da:	3.7
IP(EA), eV:	-9.67(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC)NC(=O)N

DOS

IR

Vibrations