Geometry & MOs

Info

ID:	381761
PubChem CID:	134972589
Reduced:	ON3F5H12C18 (1)
Stoich.:	AB3C5D12E18 (1)
Weight, g/mol:	262.066365
ΔH_f, kcal/mol:	-153.44
Dipole, Da:	5.52
IP(EA), eV:	-8.82(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3aR,6aR)-2-thiophen-2-yl-4,6a-dihydro-3aH-cyclopenta[b]furan-3-carboxylate

Drug info:

PubChemData

Smile

C1[C@H]2[C@@H](C3=CC=CC=C31)N4CN(N=C4CO2)C5=C(C(=C(C(=C5F)F)F)F)F

DOS

IR

Vibrations