Geometry & MOs

Info

ID:	335557
PubChem CID:	127254419
Reduced:	SO3N4C20H22 (1)
Stoich.:	AB3C4D20E22 (1)
Weight, g/mol:	563.105499
ΔH_f, kcal/mol:	-57.33
Dipole, Da:	9.27
IP(EA), eV:	-8.01(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CSC(=N2)C3=C(N(CC3=O)CC(=O)N4CCCC4)N

DOS

IR

Vibrations