Geometry & MOs

Info

ID:

340603

PubChem CID:

127262614

Reduced:

NO5C28H37 (1)

Stoich.:

AB5C28D37 (1)

Weight, g/mol:

509.152905

ΔHf, kcal/mol:

-235.34

Dipole, Da:

1.07

IP(EA), eV:

 -9.03(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-chloro-6-fluoro-1-[(1S,2S)-2-fluorocyclopropyl]-7-[(7S)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5-azaspiro[2.4]heptan-5-yl]-4-oxoquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H](C[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)OC(C)C)C(=O)OC(C)C

DOS

IR

Vibrations