Geometry & MOs

Info

ID:

218466

PubChem CID:

85089494

Reduced:

BrNO3C25H28 (1)

Stoich.:

ABC3D25E28 (1)

Weight, g/mol:

478.166175

ΔHf, kcal/mol:

-64.91

Dipole, Da:

5.94

IP(EA), eV:

 -9.22(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(9-cyclopropyl-6-fluoro-3,4-dioxo-3a,4a,5,6,7,8,8a,9a-octahydro-[1,2]thiazolo[5,4-b]quinolin-7-yl)-3-methylazetidin-3-yl]-2,2,2-trifluoro-N-methylacetamide

Drug info:

PubChemData

Smile

CC12CC(C3=C4CCC(=O)C(=C4CCC3C1CCC2O)Br)C5=CC=C(C=C5)C=NO

DOS

IR

Vibrations