Geometry & MOs

Info

ID:	385913
PubChem CID:	134980311
Reduced:	NaO6C13H17 (1)
Stoich.:	AB6C13D17 (1)
Weight, g/mol:	400.19173
ΔH_f, kcal/mol:	-289.68
Dipole, Da:	14.71
IP(EA), eV:	-8.54(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O'-tert-butyl 2-O-ethyl 1-O-methyl (1R,2S)-5-trimethylsilyloxycyclohex-4-ene-1,1,2-tricarboxylate

Drug info:

PubChemData

Smile

CC(=O)OC[C@]1(CCC=C[C@H]1CC(=O)[O-])C(=O)OC.[Na+]

DOS

IR

Vibrations