Geometry & MOs

Info

ID:	313548
PubChem CID:	126615795
Reduced:	PSN4O6C11H15 (1)
Stoich.:	ABC4D6E11F15 (1)
Weight, g/mol:	351.038771
ΔH_f, kcal/mol:	-230.95
Dipole, Da:	5.63
IP(EA), eV:	-9.81(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-thieno[3,2-b]thiophen-5-ylcyclopent-2-en-1-yl)isoindole-1,3-dione

Drug info:

PubChemData

Smile

CCOP(=O)(C1=NC2=C(S1)N(N=C2C(=O)N)CC(=O)O)OCC

DOS

IR

Vibrations