Geometry & MOs

Info

ID:

186461

PubChem CID:

77436877

Reduced:

Si2N3O3C31H47 (1)

Stoich.:

A2B3C3D31E47 (1)

Weight, g/mol:

591.307436

ΔHf, kcal/mol:

-183.57

Dipole, Da:

5.5

IP(EA), eV:

 -8.98(0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

5-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[hydroxy(dimethyl)silyl]-6-methylhept-1-ynyl]-1,3-dimethyl-5H-pyrimidin-1-ium-2,4-dione

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCC(CC#CC3CNC(NC3=O)N)CC(C)(C)[Si](C)(C)O

DOS

IR

Vibrations