Geometry & MOs

Info

ID:

185999

PubChem CID:

77375956

Reduced:

N3F4O4H17C22 (1)

Stoich.:

A3B4C4D17E22 (1)

Weight, g/mol:

479.110433

ΔHf, kcal/mol:

-261.68

Dipole, Da:

12.47

IP(EA), eV:

 -9.12(-1.34)

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-(2,4-difluorophenyl)-6,8-difluoro-4-oxoquinolin-3-yl] hydrogen carbonate

Drug info:

PubChemData

Smile

C1COC2CN(CC2N1)C3=C(C=C4C(=C3F)N(C=C(C4=O)C(=O)O)C5=C(C=C(C=C5)F)F)F

DOS

IR

Vibrations