Geometry & MOs

Info

ID:

335828

PubChem CID:

127254690

Reduced:

BrN3O3H22C32 (1)

Stoich.:

AB3C3D22E32 (1)

Weight, g/mol:

589.190066

ΔHf, kcal/mol:

93.98

Dipole, Da:

1.76

IP(EA), eV:

 -8.68(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2R)-2-(2,5-dimethoxyphenyl)-7-fluoro-1-(4-methoxybenzoyl)spiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3N2[C@H]([C@H]([C@@]34C5=CC=CC=C5NC4=O)C(=O)C6=CC=NC=C6)C(=O)C7=CC=C(C=C7)Br

DOS

IR

Vibrations