Geometry & MOs

Info

ID:

17073

PubChem CID:

483179

Reduced:

ClFSN3O8H21C23 (1)

Stoich.:

ABCD3E8F21G23 (1)

Weight, g/mol:

553.072192

ΔHf, kcal/mol:

-306.17

Dipole, Da:

12.51

IP(EA), eV:

 -9.58(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6R,7R)-3-(acetyloxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)N)SC1)C(=O)O.C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)Cl)F)C(=O)O

DOS

IR

Vibrations