Geometry & MOs

Info

ID:	80860
PubChem CID:	49846687
Reduced:	S2O3N5F7H18C20 (1)
Stoich.:	A2B3C5D7E18F20 (1)
Weight, g/mol:	288.09102
ΔH_f, kcal/mol:	-375.7
Dipole, Da:	3.59
IP(EA), eV:	-9.49(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[1-[(3-fluorophenyl)methyl]-2-oxopyridin-3-yl]-N-hydroxyprop-2-enamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(CCN1S(=O)(=O)C2=CC=C(S2)C(C3=NC=NN3)(C(F)(F)F)O)C4=C(C=C(C=C4)F)C(F)(F)F

DOS

IR

Vibrations