Geometry & MOs

Info

ID:

151340

PubChem CID:

53801094

Reduced:

FN3O3C18H20 (1)

Stoich.:

AB3C3D18E20 (1)

Weight, g/mol:

547.22424

ΔHf, kcal/mol:

-129.66

Dipole, Da:

12.68

IP(EA), eV:

 -9.19(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-amino-1-cyclopropyl-7-[5-ethoxyimino-2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.4]octan-7-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

C1C[C@@H]([C@@H](C1)NC2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F)N

DOS

IR

Vibrations