Geometry & MOs

Info

ID:	335831
PubChem CID:	127254693
Reduced:	OSN6H16C17 (1)
Stoich.:	ABC6D16E17 (1)
Weight, g/mol:	567.080427
ΔH_f, kcal/mol:	98.49
Dipole, Da:	4.2
IP(EA), eV:	-8.09(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC(=C1C(=O)NC2=CC3=C(C=C2)N(C=C3)C)N4C=NN=N4)C

DOS

IR

Vibrations