Geometry & MOs

Info

ID:	294519
PubChem CID:	117466324
Reduced:	ClSF3O3H8C9 (1)
Stoich.:	ABC3D3E8F9 (1)
Weight, g/mol:	288.040066
ΔH_f, kcal/mol:	-265.12
Dipole, Da:	6.34
IP(EA), eV:	-9.71(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)-2-hydroxyacetate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)CS(=O)(=O)Cl)C(F)(F)F

DOS

IR

Vibrations