Geometry & MOs

Info

ID:	394256
PubChem CID:	135022646
Reduced:	SiO5C21H38 (1)
Stoich.:	AB5C21D38 (1)
Weight, g/mol:	406.051109
ΔH_f, kcal/mol:	-274.94
Dipole, Da:	1.46
IP(EA), eV:	-8.92(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(3-oxo-1H-2-benzofuran-1-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-3H-2-benzofuran-1-one

Drug info:

PubChemData

Smile

CCC[C@@H]1C[C@H]2[C@H](/C=C/[C@H](CC(=O)O1)O[Si](C)(C)C(C)(C)C)OC(O2)(C)C

DOS

IR

Vibrations