Geometry & MOs

Info

ID:

44981

PubChem CID:

10506985

Reduced:

NPO7C28H58 (1)

Stoich.:

ABC7D28E58 (1)

Weight, g/mol:

556.104619

ΔHf, kcal/mol:

-453.25

Dipole, Da:

14.66

IP(EA), eV:

 -9.54(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-carbamoyloxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

[3H]C(CCCCCCCCCCCCCCCC)C([3H])OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)C

DOS

IR

Vibrations