Geometry & MOs

Info

ID:	380442
PubChem CID:	134970892
Reduced:	O5C16H18 (1)
Stoich.:	A5B16C18 (1)
Weight, g/mol:	252.118401
ΔH_f, kcal/mol:	-186.67
Dipole, Da:	2.06
IP(EA), eV:	-8.7(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyl-2-phenylsulfanyloxolane

Drug info:

PubChemData

Smile

COC(=O)[C@H]1CCC[C@@]12C3=CC4=C(C=C3CCO2)OCO4

DOS

IR

Vibrations