Geometry & MOs

Info

ID:	183298
PubChem CID:	77003789
Reduced:	FN2O3C15H15 (1)
Stoich.:	AB2C3D15E15 (1)
Weight, g/mol:	306.005422
ΔH_f, kcal/mol:	-81.27
Dipole, Da:	5.29
IP(EA), eV:	-8.97(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(2-methylsulfonylethylsulfanylmethyl)thiophen-2-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CO)OCC2=C(C=C(C=C2)C(=NO)N)F

DOS

IR

Vibrations