Geometry & MOs

Info

ID:	218979
PubChem CID:	85090287
Reduced:	SO3C23H30 (1)
Stoich.:	AB3C23D30 (1)
Weight, g/mol:	298.139137
ΔH_f, kcal/mol:	-113.69
Dipole, Da:	3.17
IP(EA), eV:	-8.22(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-3-(2-ethylphenyl)sulfanyl-2-phenyloxane

Drug info:

PubChemData

Smile

CC(C)OC1=C(C(=CC=C1)OC(C)C)S[C@H]2CCCO[C@@H]2C3=CC=CC=C3

DOS

IR

Vibrations