Geometry & MOs

Info

ID:

185546

PubChem CID:

77312206

Reduced:

FN3O5C21H26 (1)

Stoich.:

AB3C5D21E26 (1)

Weight, g/mol:

443.105955

ΔHf, kcal/mol:

-189.65

Dipole, Da:

10.64

IP(EA), eV:

 -8.44(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[7-(3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl)-1-cyclopropyl-6,8-difluoro-4-oxoquinolin-3-yl] hydrogen carbonate;hydrochloride

Drug info:

PubChemData

Smile

CCOC1=C2C(=CC(=C1N3CCC(C3)C(C)N)F)C(=O)C(=CN2C4CC4)OC(=O)O

DOS

IR

Vibrations