Geometry & MOs

Info

ID:	372059
PubChem CID:	131292723
Reduced:	FSO3H7C11 (1)
Stoich.:	ABC3D7E11 (1)
Weight, g/mol:	212.050715
ΔH_f, kcal/mol:	-117.67
Dipole, Da:	5.15
IP(EA), eV:	-9.11(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-hydroxyacetate

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)O)SC(=C2/C=C/C(=O)O)F

DOS

IR

Vibrations