Geometry & MOs

Info

ID:

44337

PubChem CID:

10502876

Reduced:

O6C25H36 (1)

Stoich.:

A6B25C36 (1)

Weight, g/mol:

433.094371

ΔHf, kcal/mol:

-265.4

Dipole, Da:

6.32

IP(EA), eV:

 -9.72(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6R,7R)-3-(acetyloxymethyl)-8-oxo-7-[[(2E)-2-phenylmethoxyiminoacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCC(=O)O[C@@H]1C[C@]2([C@@H](C=C(C[C@]3([C@H]2C=C(C3=O)C)O)CO)[C@H]4[C@@H]1C4(C)C)O

DOS

IR

Vibrations