Geometry & MOs

Info

ID:

17051

PubChem CID:

482894

Reduced:

F2N4O8C25H34 (1)

Stoich.:

A2B4C8D25E34 (1)

Weight, g/mol:

556.23447

ΔHf, kcal/mol:

-406.95

Dipole, Da:

12.68

IP(EA), eV:

 -8.88(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-amino-1-cyclopropyl-7-(3,5-dimethylpiperazin-1-yl)-6,8-difluoro-4-oxoquinoline-3-carboxylic acid;(2S,4R,5S,6R)-6-(hydroxymethyl)oxane-2,4,5-triol

Drug info:

PubChemData

Smile

CC1CN(CC(N1)C)C2=C(C(=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)N)F.C1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O

DOS

IR

Vibrations