Geometry & MOs

Info

ID:	335775
PubChem CID:	127254637
Reduced:	ClOS2N4C21H21 (1)
Stoich.:	ABC2D4E21F21 (1)
Weight, g/mol:	563.170828
ΔH_f, kcal/mol:	34.94
Dipole, Da:	8.51
IP(EA), eV:	-8.34(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-1-benzoyl-8-methyl-2-[4-(trifluoromethyl)phenyl]spiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione

Drug info:

PubChemData

Smile

CC(C)C1=CSC(=N1)CCN2CC(=O)C(=C2N)C3=NC(=CS3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations