Geometry & MOs

Info

ID:	226625
PubChem CID:	87544454
Reduced:	MgH4O6C8 (1)
Stoich.:	AB4C6D8 (1)
Weight, g/mol:	453.077025
ΔH_f, kcal/mol:	-112.53
Dipole, Da:	5.95
IP(EA), eV:	-9.98(-4.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(4-fluorophenyl)pyridin-3-yl]-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)[O-])C(=O)OO[O-].[Mg+2]

DOS

IR

Vibrations