Geometry & MOs

Info

ID:	11823
PubChem CID:	121474
Reduced:	Na2O5C10H12 (1)
Stoich.:	A2B5C10D12 (1)
Weight, g/mol:	258.048012
ΔH_f, kcal/mol:	-334.23
Dipole, Da:	0.99
IP(EA), eV:	-9.13(0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

disodium;(1R,2S,3R,4S)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate

Drug info:

PubChemData

Smile

C[C@]1([C@H]2CC[C@@H]([C@]1(C)C(=O)[O-])O2)C(=O)[O-].[Na+].[Na+]

DOS

IR

Vibrations