Geometry & MOs

Info

ID:

46886

PubChem CID:

10528137

Reduced:

ClN4O5C22H29 (1)

Stoich.:

AB4C5D22E29 (1)

Weight, g/mol:

465.181232

ΔHf, kcal/mol:

-90.2

Dipole, Da:

5.69

IP(EA), eV:

 -9.66(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[(4Z)-3-(aminomethyl)-4-phenylmethoxyiminopyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)[N+](=O)[O-])COC(=O)N(C)C2=CC=C(C=C2)CC(=O)[NH2+]CCN(C)C.[Cl-]

DOS

IR

Vibrations