Geometry & MOs

Info

ID:

336292

PubChem CID:

127255299

Reduced:

F3N3O3H22C32 (1)

Stoich.:

A3B3C3D22E32 (1)

Weight, g/mol:

551.109978

ΔHf, kcal/mol:

-168.44

Dipole, Da:

6.34

IP(EA), eV:

 -8.98(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2S)-1-(2-chlorobenzoyl)-7-fluoro-2-(2-fluorophenyl)spiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)N3C(=O)[C@@H]4[C@H](C3=O)C5C6=CC=CC=C6C=CN5[C@@H]4C(=O)NC7=CC=CC(=C7)C(F)(F)F

DOS

IR

Vibrations