Geometry & MOs

Info

ID:

125711

PubChem CID:

50935044

Reduced:

AlS8C11H18O38 (1)

Stoich.:

AB8C11D18E38 (1)

Weight, g/mol:

192.11503

ΔHf, kcal/mol:

-1371.93

Dipole, Da:

7.76

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.825520

Charge, e:

 0

Chem-info

IUPAC name:

methyl (1R,2S,4S)-2-methylspiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxylate

Drug info:

PubChemData

Smile

C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])COS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-].O.O.O.[Al]

DOS

IR

Vibrations