Geometry & MOs

Info

ID:	311332
PubChem CID:	126590514
Reduced:	SO3N4F6H18C26 (1)
Stoich.:	AB3C4D6E18F26 (1)
Weight, g/mol:	416.12936
ΔH_f, kcal/mol:	-326.06
Dipole, Da:	4.78
IP(EA), eV:	-9.59(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[2-(4-ethoxyphenyl)sulfonylethyl]-2-methyl-1-benzofuran-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CSC(=O)O)C2=CC(=NC(=N2)N)OC(C3=CC=C(C=C3)C4=C(C=CN=C4)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations