Geometry & MOs

Info

ID:

128627

PubChem CID:

51052426

Reduced:

BrF3N3O3H19C28 (1)

Stoich.:

AB3C3D3E19F28 (1)

Weight, g/mol:

551.230788

ΔHf, kcal/mol:

-178.22

Dipole, Da:

7.53

IP(EA), eV:

 -9.03(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2R)-1-(2,2-dimethylpropanoyl)-2-(2,3,4-trimethoxyphenyl)spiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione

Drug info:

PubChemData

Smile

C1=CC=C2C3[C@@H]4[C@H]([C@H](N3C=CC2=C1)C(=O)NC5=CC=CC(=C5)C(F)(F)F)C(=O)N(C4=O)C6=CC=C(C=C6)Br

DOS

IR

Vibrations