Geometry & MOs

Info

ID:	164581
PubChem CID:	74419945
Reduced:	ClOS2N3H20C21 (1)
Stoich.:	ABC2D3E20F21 (1)
Weight, g/mol:	374.207981
ΔH_f, kcal/mol:	38.64
Dipole, Da:	5.52
IP(EA), eV:	-8.2(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl 1-[4-(dimethylamino)phenyl]-3-ethyl-5-methyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-ium-3-carboxylate

Drug info:

PubChemData

Smile

CSC1=CC=CC2=C1N=C(S2)N3CCN(CC3)C(=O)C=CC4=CC=CC=C4Cl

DOS

IR

Vibrations