Geometry & MOs

Info

ID:

220406

PubChem CID:

85182433

Reduced:

O6C11H11 (2)

Stoich.:

A6B11C11 (2)

Weight, g/mol:

479.091983

ΔHf, kcal/mol:

-424.41

Dipole, Da:

8.72

IP(EA), eV:

 -8.92(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)C(=O)OC(C(C(=O)O)OC(=O)C2=C(C=CC(=C2)OC)OC)C(=O)O

DOS

IR

Vibrations