Geometry & MOs

Info

ID:

215291

PubChem CID:

85084491

Reduced:

SiO11C43H76 (1)

Stoich.:

AB11C43D76 (1)

Weight, g/mol:

798.117173

ΔHf, kcal/mol:

-599.44

Dipole, Da:

3.97

IP(EA), eV:

 -8.81(0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1C2(C(CC(C(O2)C(CC(C)CC(=CC3CC(COC34CC(OC(O4)(C)C)C(C)C=C)O[Si](C)(C)C(C)(C)C)C)OC)OC)C)OC(O1)(C)C

DOS

IR

Vibrations