Geometry & MOs

Info

ID:	46392
PubChem CID:	10524216
Reduced:	O5C23H30 (1)
Stoich.:	A5B23C30 (1)
Weight, g/mol:	386.17631
ΔH_f, kcal/mol:	-239.72
Dipole, Da:	3.67
IP(EA), eV:	-9.74(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(5S)-5-(oxan-2-yloxy)-6-phenylmethoxyhexyl] methanesulfonate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H]2[C@@H]3C[C@@]45[C@H](C[C@@H](CC4=O)OC5=O)C[C@@H]3C=C[C@H]2[C@@H]1OC(=O)C(C)C

DOS

IR

Vibrations