Geometry & MOs

Info

ID:	232403
PubChem CID:	87576130
Reduced:	O3N4F6H12C17 (1)
Stoich.:	A3B4C6D12E17 (1)
Weight, g/mol:	212.01433
ΔH_f, kcal/mol:	-356.62
Dipole, Da:	3.46
IP(EA), eV:	-9.38(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-benzofuran-7-sulfonate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNC(=O)C2=CN3C(=NN(C3=O)CC(F)(F)F)C=C2)OC(F)(F)F

DOS

IR

Vibrations