Geometry & MOs

Info

ID:	132694
PubChem CID:	51402428
Reduced:	FN3O4H18C21 (1)
Stoich.:	AB3C4D18E21 (1)
Weight, g/mol:	396.135959
ΔH_f, kcal/mol:	-75.79
Dipole, Da:	20.67
IP(EA), eV:	-7.99(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2S)-2-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

C1=COC(=C1)C(=O)C2=C(C(=O)N([C@H]2C3=CC=C(C=C3)F)CCC[N+]4=CNC=C4)[O-]

DOS

IR

Vibrations