Geometry & MOs

Info

ID:

384506

PubChem CID:

134977111

Reduced:

BrP3N5C11O12H17 (1)

Stoich.:

AB3C5D11E12F17 (1)

Weight, g/mol:

465.95025

ΔHf, kcal/mol:

-631.04

Dipole, Da:

7.35

IP(EA), eV:

 -9.47(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] 2,2,2-trichloroacetate

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC(=NC3=O)N)COP(=O)(O)OP(=O)(C(P(=O)(O)O)Br)O)O

DOS

IR

Vibrations