Geometry & MOs

Info

ID:

16480

PubChem CID:

470537

Reduced:

SSi2N3O10C35H61 (1)

Stoich.:

AB2C3D10E35F61 (1)

Weight, g/mol:

771.361619

ΔHf, kcal/mol:

-568.27

Dipole, Da:

9.0

IP(EA), eV:

 -8.68(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(7-acetyl-8-oxononyl)-1-[(6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CN(C(=O)N(C1=O)CCCCCCC(C(=O)C)C(=O)C)[C@H]2[C@@H](C3([C@H](O2)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations