Geometry & MOs

Info

ID:	218990
PubChem CID:	85090306
Reduced:	OSC17H28 (1)
Stoich.:	ABC17D28 (1)
Weight, g/mol:	298.139137
ΔH_f, kcal/mol:	-59.28
Dipole, Da:	2.98
IP(EA), eV:	-8.36(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-3-(2,6-dimethylphenyl)sulfanyl-2-phenyloxane

Drug info:

PubChemData

Smile

CCCC[C@H]([C@H](CCCC)SC1=CC=CC=C1)OC

DOS

IR

Vibrations