Geometry & MOs

Info

ID:	293960
PubChem CID:	117420251
Reduced:	SO3C14H18 (1)
Stoich.:	AB3C14D18 (1)
Weight, g/mol:	266.097666
ΔH_f, kcal/mol:	-94.82
Dipole, Da:	5.25
IP(EA), eV:	-10.0(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(2-cyclobutylsulfanylphenyl)-2-hydroxyacetate

Drug info:

PubChemData

Smile

CC(CC=O)C1=CC=CC=C1S(=O)(=O)C2CCC2

DOS

IR

Vibrations