Geometry & MOs

Info

ID:	392835
PubChem CID:	135018141
Reduced:	SeO17C33H42 (1)
Stoich.:	AB17C33D42 (1)
Weight, g/mol:	502.0742
ΔH_f, kcal/mol:	-752.32
Dipole, Da:	0.93
IP(EA), eV:	-8.73(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,6R)-3,4,5-triacetyloxy-6-benzylselanyloxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCC1[C@H](C(C([C@@H](O1)[Se]CC2=CC=CC=C2)OC(=O)C)OC(=O)C)O[C@H]3C(C([C@H](C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations