Geometry & MOs

Info

ID:	335958
PubChem CID:	127254965
Reduced:	FCl2N2O3C15H17 (1)
Stoich.:	AB2C2D3E15F17 (1)
Weight, g/mol:	327.091173
ΔH_f, kcal/mol:	-125.66
Dipole, Da:	5.99
IP(EA), eV:	-7.56(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(2-chloro-4-fluorophenyl)-3-(1-hydroxy-3,4,5-trimethylimidazol-3-ium-2-yl)propanoic acid

Drug info:

PubChemData

Smile

CC1=C([N+](=C(N1O)C(CC(=O)O)C2=C(C=C(C=C2)F)Cl)C)C.[Cl-]

DOS

IR

Vibrations