Geometry & MOs

Info

ID:

219399

PubChem CID:

85148361

Reduced:

SN3O5C25H25 (1)

Stoich.:

AB3C5D25E25 (1)

Weight, g/mol:

479.039182

ΔHf, kcal/mol:

-121.66

Dipole, Da:

6.85

IP(EA), eV:

 -8.36(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-(thiophen-2-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C3=C1C4CCC(C(C3)N4C(=O)OCC5=CC=CC=C5)(C#N)OS(=O)(=O)C

DOS

IR

Vibrations