Geometry & MOs

Info

ID:	406599
PubChem CID:	135078121
Reduced:	SeO7C18H22 (1)
Stoich.:	AB7C18D22 (1)
Weight, g/mol:	399.098788
ΔH_f, kcal/mol:	-295.44
Dipole, Da:	1.75
IP(EA), eV:	-8.66(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4,5-diacetyloxy-2-(hydroxymethyl)-6-pyridin-2-ylsulfanyloxan-3-yl] acetate

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)[Se]C2=CC=CC=C2)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations