Geometry & MOs

Info

ID:	229679
PubChem CID:	87568413
Reduced:	FNO6C8H10 (1)
Stoich.:	ABC6D8E10 (1)
Weight, g/mol:	398.164185
ΔH_f, kcal/mol:	-300.03
Dipole, Da:	7.19
IP(EA), eV:	-10.93(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-fluoro-4-methoxyphenyl)-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-N-propan-2-ylprop-2-enamide

Drug info:

PubChemData

Smile

C1[C@@H](C(=O)N([C@@H]1C(=O)O)C(=O)O)OCCF

DOS

IR

Vibrations