Geometry & MOs

Info

ID:	335991
PubChem CID:	127254998
Reduced:	OSN4H18C19 (1)
Stoich.:	ABC4D18E19 (1)
Weight, g/mol:	593.140529
ΔH_f, kcal/mol:	58.96
Dipole, Da:	4.06
IP(EA), eV:	-8.22(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-7-chloro-2-(2,4-dimethoxyphenyl)-1-(4-fluorobenzoyl)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(=CN2)C3=CSC(=N3)NC(=O)CCCN4C=CC=C4

DOS

IR

Vibrations