Geometry & MOs

Info

ID:

81673

PubChem CID:

49854995

Reduced:

FSN5O9C21H28 (1)

Stoich.:

ABC5D9E21F28 (1)

Weight, g/mol:

633.211606

ΔHf, kcal/mol:

-351.57

Dipole, Da:

20.72

IP(EA), eV:

 -8.97(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

acetic acid;7-[(4Z)-3-(aminomethyl)-4-methoxyiminopyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;1,4-dioxane;methanesulfonic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations