Geometry & MOs

Info

ID:

231520

PubChem CID:

87574024

Reduced:

FN5O7C19H24 (1)

Stoich.:

AB5C7D19E24 (1)

Weight, g/mol:

453.165976

ΔHf, kcal/mol:

-253.63

Dipole, Da:

14.39

IP(EA), eV:

 -9.1(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[(3S,4Z)-3-(aminomethyl)-4-methoxyiminopyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;formic acid;hydrate

Drug info:

PubChemData

Smile

CO/N=C/1\CN(CC1CN)C2=C(C=C3C(=O)C(=CN(C3=N2)C4CC4)C(=O)O)F.C(=O)O.O

DOS

IR

Vibrations