Geometry & MOs

Info

ID:

215227

PubChem CID:

85084398

Reduced:

N6O9C39H68 (1)

Stoich.:

A6B9C39D68 (1)

Weight, g/mol:

765.128072

ΔHf, kcal/mol:

-513.86

Dipole, Da:

7.33

IP(EA), eV:

 -9.59(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-3-[(4,6-diamino-1-propylpyrimidin-1-ium-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(=O)C(C)C(=O)N1CCCC1C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)O

DOS

IR

Vibrations