Geometry & MOs

Info

ID:

179670

PubChem CID:

76518313

Reduced:

FN5O6C26H30 (1)

Stoich.:

AB5C6D26E30 (1)

Weight, g/mol:

545.20859

ΔHf, kcal/mol:

-141.99

Dipole, Da:

11.75

IP(EA), eV:

 -8.67(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[3-(aminomethyl)-4-[(6-fluoro-2,3-dimethoxyphenyl)methoxyimino]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-4a,8a-dihydro-1,8-naphthyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CON=C2CN(CC2CN)C3=NC4C(C=C3F)C(=O)C(=CN4C5CC5)C(=O)O)OC

DOS

IR

Vibrations