Geometry & MOs

Info

ID:	228521
PubChem CID:	87565188
Reduced:	ClN3O3F6C24H24 (1)
Stoich.:	AB3C3D6E24F24 (1)
Weight, g/mol:	343.02805
ΔH_f, kcal/mol:	-403.45
Dipole, Da:	4.59
IP(EA), eV:	-8.83(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2S)-1-ethoxy-2-iodo-1-oxopentan-2-yl]amino]propanoic acid

Drug info:

PubChemData

Smile

CCN(CC)C1CC(C1)N2C3=CC(=CC(=C3C(C2=O)(C4=C(C=C(C=C4F)F)F)O)C(F)(F)F)C(=O)N.Cl

DOS

IR

Vibrations