Geometry & MOs

Info

ID:	385917
PubChem CID:	134980319
Reduced:	SO2C14H16 (1)
Stoich.:	AB2C14D16 (1)
Weight, g/mol:	248.087101
ΔH_f, kcal/mol:	-56.1
Dipole, Da:	3.75
IP(EA), eV:	-8.77(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,2R)-2-phenylsulfanylcyclohex-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

COC(=O)[C@@H]1CCC=C[C@@H]1SC2=CC=CC=C2

DOS

IR

Vibrations