Geometry & MOs

Info

ID:	335570
PubChem CID:	127254432
Reduced:	ClOSN3C14H14 (1)
Stoich.:	ABCD3E14F14 (1)
Weight, g/mol:	559.179501
ΔH_f, kcal/mol:	13.43
Dipole, Da:	4.84
IP(EA), eV:	-8.69(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=C2CSCC2=N1)NC(=O)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations