Geometry & MOs

Info

ID:	335957
PubChem CID:	127254964
Reduced:	SO3N5H19C23 (1)
Stoich.:	AB3C5D19E23 (1)
Weight, g/mol:	362.060026
ΔH_f, kcal/mol:	-6.58
Dipole, Da:	2.6
IP(EA), eV:	-8.77(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=C2CSCC2=N1)NC(=O)CN3C4C5=CC=CC=C5C(=O)N4C6=CC=CC=C6C3=O

DOS

IR

Vibrations