Geometry & MOs

Info

ID:	139580
PubChem CID:	52561858
Reduced:	OSF3N4C14H15 (1)
Stoich.:	ABC3D4E14F15 (1)
Weight, g/mol:	393.088223
ΔH_f, kcal/mol:	-116.68
Dipole, Da:	4.34
IP(EA), eV:	-9.4(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxyethyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate

Drug info:

PubChemData

Smile

C1CCC(C1)N2C(=NN=N2)SCC3=CC=C(C=C3)OC(F)(F)F

DOS

IR

Vibrations