Geometry & MOs

Info

ID:

81829

PubChem CID:

49855221

Reduced:

O7C23H28 (1)

Stoich.:

A7B23C28 (1)

Weight, g/mol:

1024.307789

ΔHf, kcal/mol:

-227.08

Dipole, Da:

5.31

IP(EA), eV:

 -8.36(0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[C@@H]2C3CO[C@@H](C3CO2)C4=CC(=C(C(=C4)OC)OC)OC)OC

DOS

IR

Vibrations