Geometry & MOs

Info

ID:

141683

PubChem CID:

52916328

Reduced:

NO4C15H21 (2)

Stoich.:

AB4C15D21 (2)

Weight, g/mol:

440.115933

ΔHf, kcal/mol:

-360.77

Dipole, Da:

7.85

IP(EA), eV:

 -9.65(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6,8-difluoro-4-oxo-7-(propan-2-ylamino)-1-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]([C@H](/C(=C/[C@@H]1COC(N1C(=O)OC(C)(C)C)(C)C)/C)O)C(=O)[C@@H](C)C(=O)N2[C@H](COC2=O)CC3=CC=CC=C3

DOS

IR

Vibrations