Geometry & MOs

Info

ID:

398329

PubChem CID:

135032833

Reduced:

N2Si3O6C28H56 (2)

Stoich.:

A2B3C6D28E56 (2)

Weight, g/mol:

511.148157

ΔHf, kcal/mol:

-894.67

Dipole, Da:

6.03

IP(EA), eV:

 -8.59(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

[(2R,3R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [(2R,3R,5R)-3-hydroxy-5-(3-methylphenyl)oxolan-2-yl]methyl phosphate

Drug info:

PubChemData

Smile

CC[Si](CC)(CC)OC[C@@H]1[C@@H](C[C@@H](O1)N2C[C@](C(=O)N(C2=O)COCC[Si](C)(C)C)(C)CC3=CN(C(=O)N(C3=O)COCC[Si](C)(C)C)[C@H]4C[C@H]([C@H](O4)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](CC)(CC)CC

DOS

IR

Vibrations