Geometry & MOs

Info

ID:	340460
PubChem CID:	127262471
Reduced:	SO5C12H16 (1)
Stoich.:	AB5C12D16 (1)
Weight, g/mol:	238.066365
ΔH_f, kcal/mol:	-185.43
Dipole, Da:	4.52
IP(EA), eV:	-9.34(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 2-(1,3-benzoxathiol-2-yl)acetate

Drug info:

PubChemData

Smile

CC(C)C(C)OS(=O)(=O)C1=CC=CC2=C1OCO2

DOS

IR

Vibrations