Geometry & MOs

Info

ID:

149574

PubChem CID:

53789247

Reduced:

FO5C26H33 (1)

Stoich.:

AB5C26D33 (1)

Weight, g/mol:

751.195483

ΔHf, kcal/mol:

-255.1

Dipole, Da:

5.79

IP(EA), eV:

 -9.85(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

(6S)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-prop-2-ynoxyiminoacetyl]amino]-3-[[7-(1-ethylpiperazin-2-yl)-6-fluoro-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

CC(C(C)O)C(=O)OCC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)C=C[C@]34C)F)C

DOS

IR

Vibrations