Geometry & MOs

Info

ID:

220042

PubChem CID:

85165178

Reduced:

SeSiN2O6C30H48 (1)

Stoich.:

ABC2D6E30F48 (1)

Weight, g/mol:

641.222943

ΔHf, kcal/mol:

-348.7

Dipole, Da:

3.15

IP(EA), eV:

 -8.02(0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[6-[4-(methoxymethoxy)phenyl]-1-[(2-methylsulfanylphenyl)methyl]-2,4-dioxo-5-[(pentanoylamino)methyl]-4a,7a-dihydrothieno[2,3-d]pyrimidin-3-yl]acetate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC(CC1C2CN(C(=C2[Se]C3=CC=CC=C3)O)C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations