Geometry & MOs

Info

ID:

219005

PubChem CID:

85090348

Reduced:

Al3O5Cl6H10C13 (1)

Stoich.:

A3B5C6D10E13 (1)

Weight, g/mol:

537.238747

ΔHf, kcal/mol:

-441.73

Dipole, Da:

8.51

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.570387

Charge, e:

 0

Chem-info

IUPAC name:

7-[3-(4-aminophenyl)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C(=C2)C3=C(C=CC(=C3)O)O)O.[Al](Cl)Cl.[Al](Cl)Cl.[Al](Cl)Cl

DOS

IR

Vibrations