Geometry & MOs

Info

ID:	232046
PubChem CID:	87575284
Reduced:	FNNa2S7O16C28H32 (1)
Stoich.:	ABC2D7E16F28G32 (1)
Weight, g/mol:	530.134168
ΔH_f, kcal/mol:	-789.28
Dipole, Da:	8.89
IP(EA), eV:	-8.3(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

zinc;5-[2-(2-methoxyethoxy)ethoxy]-5-oxopentanoate

Drug info:

PubChemData

Smile

C1C(C(C(CC1=O)C(CS(=O)(=O)[O-])SCCS(=O)(=O)[O-])(C2=CC3=C(N2S(=O)(=O)C4=CC=CC=C4)C=C(C=C3)F)O)C(CS(=O)(=O)O)SCCS(=O)(=O)O.[Na+].[Na+]

DOS

IR

Vibrations