Geometry & MOs

Info

ID:

308214

PubChem CID:

125321551

Reduced:

ClSi4O8C35H59 (1)

Stoich.:

AB4C8D35E59 (1)

Weight, g/mol:

499.159949

ΔHf, kcal/mol:

-539.27

Dipole, Da:

3.99

IP(EA), eV:

 -8.72(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[(5R)-5-(4-tert-butylphenyl)sulfonyl-4-oxo-5H-pyrimidin-2-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide

Drug info:

PubChemData

Smile

C[Si](C)(C)OC[C@H]1[C@H]([C@H]([C@H]([C@](O1)(C2=CC(=C(C=C2)Cl)CC3=CC=C(C=C3)O[C@@H]4CCOC4)O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C

DOS

IR

Vibrations