Geometry & MOs

Info

ID:	40166
PubChem CID:	8143672
Reduced:	ON3Cl4H7C15 (1)
Stoich.:	AB3C4D7E15 (1)
Weight, g/mol:	342.077607
ΔH_f, kcal/mol:	72.17
Dipole, Da:	4.91
IP(EA), eV:	-9.52(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(5S)-5-(2,4-dichlorophenyl)-5-methyl-3-(pyrrolidin-1-ium-1-ylmethyl)imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)C(C#N)N=NC2=C(C=C(C=C2Cl)Cl)Cl)Cl

DOS

IR

Vibrations