Geometry & MOs

Info

ID:	224416
PubChem CID:	85342725
Reduced:	SeO3H20C24 (1)
Stoich.:	AB3C20D24 (1)
Weight, g/mol:	438.165484
ΔH_f, kcal/mol:	-28.25
Dipole, Da:	3.89
IP(EA), eV:	-8.84(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] 2-diethoxyphosphorylacetate

Drug info:

PubChemData

Smile

COC(=O)C1(CC2C3=CC=CC=C3C1(O2)C4=CC=CC=C4)[Se]C5=CC=CC=C5

DOS

IR

Vibrations