Geometry & MOs

Info

ID:

335543

PubChem CID:

127254405

Reduced:

BrN2O4H25C34 (1)

Stoich.:

AB2C4D25E34 (1)

Weight, g/mol:

593.03933

ΔHf, kcal/mol:

40.76

Dipole, Da:

3.48

IP(EA), eV:

 -8.62(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2R)-1-benzoyl-2-(4-bromophenyl)-7-chlorospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(=O)[C@@H]2[C@@H](N3C([C@]24C5=CC=CC=C5NC4=O)C=CC6=CC=CC=C63)C(=O)C7=CC=C(C=C7)Br

DOS

IR

Vibrations