Geometry & MOs

Info

ID:

177135

PubChem CID:

76139596

Reduced:

SSi4O10C29H41 (1)

Stoich.:

AB4C10D29E41 (1)

Weight, g/mol:

362.093643

ΔHf, kcal/mol:

-551.18

Dipole, Da:

5.44

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.024368

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[6-(4-methoxyphenyl)-2,4-dioxo-4a,7a-dihydro-1H-thieno[2,3-d]pyrimidin-3-yl]acetate

Drug info:

PubChemData

Smile

C[Si](C)(C)OC(=O)C1C=C2C(=[S-](=O)C3=CC(=C(C=C3C2=O)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C1C(=O)O[Si](C)(C)C

DOS

IR

Vibrations