Geometry & MOs

Info

ID:	227850
PubChem CID:	87562713
Reduced:	FeC2O2H6 (1)
Stoich.:	AB2C2D6 (1)
Weight, g/mol:	571.141645
ΔH_f, kcal/mol:	29.8
Dipole, Da:	3.03
IP(EA), eV:	-8.22(1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-amino-3-[2-fluoro-4-(trifluoromethyl)phenyl]-1-oxopropan-2-yl]-N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide

Drug info:

PubChemData

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[CH2-]O.[CH2-]O.[Fe+2]

DOS

IR

Vibrations