Geometry & MOs

Info

ID:

191779

PubChem CID:

78187824

Reduced:

SSiN3O9C26H34 (1)

Stoich.:

ABC3D9E26F34 (1)

Weight, g/mol:

559.189401

ΔHf, kcal/mol:

-363.38

Dipole, Da:

8.52

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.894478

Charge, e:

 1

Chem-info

IUPAC name:

[4-amino-9-[tert-butyl(dimethyl)silyl]oxy-8-(3-methyl-5-methylidene-2,4-dioxopyrimidin-1-ium-1-yl)-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-6-yl]methyl N,N-dimethylcarbamate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC1C(OC(C12C(=CS(=O)(=O)O2)N)COC(=O)C3=CC=CC=C3)[N+]4=CC(=C)C(=O)N(C4=O)C

DOS

IR

Vibrations