Geometry & MOs

Info

ID:	230911
PubChem CID:	87572237
Reduced:	ClO7C10H17 (1)
Stoich.:	AB7C10D17 (1)
Weight, g/mol:	248.089603
ΔH_f, kcal/mol:	-348.16
Dipole, Da:	7.64
IP(EA), eV:	-10.77(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-2-ethyl-3-(2-methoxyacetyl)oxypentanedioic acid

Drug info:

PubChemData

Smile

CCC([C@H](CC(=O)O)OC(=O)COC)C(=O)O.Cl

DOS

IR

Vibrations