Geometry & MOs

Info

ID:	386719
PubChem CID:	134982684
Reduced:	SO3C17H22 (1)
Stoich.:	AB3C17D22 (1)
Weight, g/mol:	438.222866
ΔH_f, kcal/mol:	-105.42
Dipole, Da:	3.56
IP(EA), eV:	-9.66(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[1-(benzenesulfinyl)-1-cyclohexylethyl]cyclohexyl] benzoate

Drug info:

PubChemData

Smile

C1CCC(CC1)(C2(CC=CC2)S(=O)(=O)C3=CC=CC=C3)O

DOS

IR

Vibrations