Geometry & MOs

Info

ID:

177031

PubChem CID:

76126720

Reduced:

N2O5C26H26 (1)

Stoich.:

A2B5C26D26 (1)

Weight, g/mol:

725.179833

ΔHf, kcal/mol:

-102.54

Dipole, Da:

6.22

IP(EA), eV:

 -9.3(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

7-[[2-(2-amino-1,3-thiazol-4-yl)-2-prop-2-enoxyiminoacetyl]amino]-3-[(6-fluoro-7-piperazin-1-yl-1-prop-2-enylquinolin-1-ium-4-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CCN(CC(C1)NC(=O)C2=CC=C(C=C2)O)OC(=O)C3=CC=CC=C3OC4=CC=CC=C4

DOS

IR

Vibrations