Geometry & MOs

Info

ID:

173154

PubChem CID:

75604405

Reduced:

F3N5O8C22H22 (1)

Stoich.:

A3B5C8D22E22 (1)

Weight, g/mol:

620.077753

ΔHf, kcal/mol:

-433.02

Dipole, Da:

3.57

IP(EA), eV:

 -9.78(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[3-amino-2-(2-hydroxyethyl)pyrazol-1-ium-1-yl]methyl]-7-[[2-(2-amino-1,3-thiazol-5-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrogen sulfate

Drug info:

PubChemData

Smile

CC(=O)OCC1C(CC(O1)N2CC(C(=O)NC2=O)C3=CN(N=N3)C4=CC=C(C=C4)OC(F)(F)F)OC(=O)C

DOS

IR

Vibrations