Geometry & MOs

Info

ID:	294343
PubChem CID:	117453815
Reduced:	SO4C14H18 (1)
Stoich.:	AB4C14D18 (1)
Weight, g/mol:	282.09258
ΔH_f, kcal/mol:	-139.74
Dipole, Da:	4.53
IP(EA), eV:	-9.03(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-hydroxy-2-[4-(thiolan-3-yloxy)phenyl]acetate

Drug info:

PubChemData

Smile

CC(CC1=C(C(=CC=C1)OC)OC2CSC2)C(=O)O

DOS

IR

Vibrations