Geometry & MOs

Info

ID:	20929
PubChem CID:	586317
Reduced:	SO3C15H18 (1)
Stoich.:	AB3C15D18 (1)
Weight, g/mol:	278.097666
ΔH_f, kcal/mol:	-118.29
Dipole, Da:	2.88
IP(EA), eV:	-8.92(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-oxo-4-phenylsulfanylcyclohexyl)acetate

Drug info:

PubChemData

Smile

COC(=O)CC1CCC(CC1=O)SC2=CC=CC=C2

DOS

IR

Vibrations