Geometry & MOs

Info

ID:

335664

PubChem CID:

127254526

Reduced:

O4N5H21C26 (1)

Stoich.:

A4B5C21D26 (1)

Weight, g/mol:

589.190066

ΔHf, kcal/mol:

-65.16

Dipole, Da:

4.27

IP(EA), eV:

 -8.53(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)NC(=O)CN3C4C5=CC=CC=C5C(=O)N4C6=CC=CC=C6C3=O)N(C1=O)C

DOS

IR

Vibrations