Geometry & MOs

Info

ID:

336054

PubChem CID:

127255061

Reduced:

FNO6H30C37 (1)

Stoich.:

ABC6D30E37 (1)

Weight, g/mol:

581.096077

ΔHf, kcal/mol:

-134.38

Dipole, Da:

4.13

IP(EA), eV:

 -8.33(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)[C@H]2[C@@H](C3(C4N2C5=C(C=C4)C=C(C=C5)F)C(=O)C6=CC=CC=C6C3=O)C7=C(C(=C(C=C7)OC)OC)OC

DOS

IR

Vibrations