Geometry & MOs

Info

ID:

183009

PubChem CID:

76968577

Reduced:

O5C6H10 (8)

Stoich.:

A5B6C10 (8)

Weight, g/mol:

532.107039

ΔHf, kcal/mol:

-1680.75

Dipole, Da:

7.81

IP(EA), eV:

 -9.72(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

potassium;(2S,5R,6R)-6-[[(2S)-3-(2,3-dihydro-1H-inden-5-yloxy)-3-oxo-2-phenylpropanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Drug info:

PubChemData

Smile

C([C@H](COC1=C(C(=O)O[C@@H]1[C@H](CO)O)OC[C@@H](CO)O)O)O.C([C@H](COC1=C(C(=O)O[C@@H]1[C@H](CO)O)OC[C@H](CO)O)O)O.C([C@@H](COC1=C(C(=O)O[C@@H]1[C@H](CO)O)OC[C@@H](CO)O)O)O.C([C@@H](COC1=C(C(=O)O[C@@H]1[C@H](CO)O)OC[C@H](CO)O)O)O

DOS

IR

Vibrations