Geometry & MOs

Info

ID:	79712
PubChem CID:	49830082
Reduced:	Cl2N2O3H16C21 (1)
Stoich.:	A2B2C3D16E21 (1)
Weight, g/mol:	420.169009
ΔH_f, kcal/mol:	-56.86
Dipole, Da:	4.54
IP(EA), eV:	-9.33(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3R)-5'-chloro-5-(3-methoxypropyl)-1-(2-methylpropyl)spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-ium-3,3'-1H-indole]-2',4,6-trione

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C(=CC=C1)Cl)Cl)OC(=O)C=CC2=NC3=CC=CC=C3C=C2

DOS

IR

Vibrations