Geometry & MOs

Info

ID:	335810
PubChem CID:	127254672
Reduced:	FO3N5H12C18 (1)
Stoich.:	AB3C5D12E18 (1)
Weight, g/mol:	578.116398
ΔH_f, kcal/mol:	-58.92
Dipole, Da:	8.7
IP(EA), eV:	-8.85(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1'S,2'S,3R,3'aR)-1',2'-bis(4-chlorobenzoyl)-5'-methylspiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one

Drug info:

PubChemData

Smile

CN1C(=O)C2=C(C=CC(=C2)NC(=O)C3=CNC4=C(C3=O)C=CC=C4F)N=N1

DOS

IR

Vibrations