Geometry & MOs

Info

ID:

384146

PubChem CID:

134976424

Reduced:

PSeSiN7O13C57H68 (1)

Stoich.:

ABCD7E13F57G68 (1)

Weight, g/mol:

401.986548

ΔHf, kcal/mol:

-409.29

Dipole, Da:

4.02

IP(EA), eV:

 -8.78(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 -2

Chem-info

IUPAC name:

[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphate

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)OP(=[Se])(C)OC[C@@H]6[C@H]([C@H]([C@@H](O6)N7C=NC8=C(N=CN=C87)NC(=O)C9=CC=CC=C9)OC)O[Si](C)(C)C(C)(C)C)OC

DOS

IR

Vibrations