Geometry & MOs

Info

ID:	219804
PubChem CID:	85164913
Reduced:	SeO2C14H21 (2)
Stoich.:	AB2C14D21 (2)
Weight, g/mol:	600.184291
ΔH_f, kcal/mol:	-167.31
Dipole, Da:	2.88
IP(EA), eV:	-7.89(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-acetyl-4-methyl-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyphenyl] benzoate

Drug info:

PubChemData

Smile

CCOC(C)C1=C(C(=CC=C1)C(C)OCC)[Se][Se]C2=C(C=CC=C2C(C)OCC)C(C)OCC

DOS

IR

Vibrations