Geometry & MOs

Info

ID:	382334
PubChem CID:	134973418
Reduced:	SeO5H20C24 (1)
Stoich.:	AB5C20D24 (1)
Weight, g/mol:	502.08946
ΔH_f, kcal/mol:	-97.78
Dipole, Da:	6.21
IP(EA), eV:	-8.66(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4S,6S)-6-(furan-2-yl)-4-hydroxy-6-methoxy-2-[(1S)-1-phenylselanylethyl]oxan-3-yl] benzoate

Drug info:

PubChemData

Smile

C[C@@H](C1[C@H](C(=O)C=C(O1)C2=CC=CO2)OC(=O)C3=CC=CC=C3)[Se]C4=CC=CC=C4

DOS

IR

Vibrations