Geometry & MOs

Info

ID:	50747
PubChem CID:	12013334
Reduced:	SO3C16H24 (1)
Stoich.:	AB3C16D24 (1)
Weight, g/mol:	320.144616
ΔH_f, kcal/mol:	-143.94
Dipole, Da:	2.99
IP(EA), eV:	-8.62(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,5S)-5-(1-phenylsulfanylcyclohexyl)oxolan-3-yl] acetate

Drug info:

PubChemData

Smile

C1CCC(CC1)([C@H](C[C@H](CO)O)O)SC2=CC=CC=C2

DOS

IR

Vibrations