Geometry & MOs

Info

ID:	337143
PubChem CID:	127256708
Reduced:	SO2C15H20 (1)
Stoich.:	AB2C15D20 (1)
Weight, g/mol:	280.113316
ΔH_f, kcal/mol:	-102.05
Dipole, Da:	2.49
IP(EA), eV:	-8.69(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-hydroxy-2H-thiopyran-6-yl) 2-cyclohex-2-en-1-yl-2-methylpropanoate

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1C[C@@H](SC(C1)(C)C)C2=CC=CC=C2

DOS

IR

Vibrations