Geometry & MOs

Info

ID:

189834

PubChem CID:

77910789

Reduced:

N4O10C49H60 (1)

Stoich.:

A4B10C49D60 (1)

Weight, g/mol:

603.11287

ΔHf, kcal/mol:

-278.63

Dipole, Da:

8.24

IP(EA), eV:

 -8.05(0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[3-(aminomethyl)-4-[(2-bromo-4,5-dimethoxyphenyl)methoxyimino]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=CC2CC(C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(COC(=O)C)O)OC(=O)C)CC)OCCOC(=O)C)C(=O)OC

DOS

IR

Vibrations