Geometry & MOs

Info

ID:

16344

PubChem CID:

464896

Reduced:

ClF4O4N9H30C32 (1)

Stoich.:

AB4C4D9E30F32 (1)

Weight, g/mol:

715.204541

ΔHf, kcal/mol:

-154.49

Dipole, Da:

7.75

IP(EA), eV:

 -8.94(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-8-chloro-6-fluoro-1-[(2S)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylic acid;2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol

Drug info:

PubChemData

Smile

C1CC12CN(C[C@H]2N)C3=C(C=C4C(=C3Cl)N(C=C(C4=O)C(=O)O)C5C[C@@H]5F)F.C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O

DOS

IR

Vibrations