Geometry & MOs

Info

ID:

381531

PubChem CID:

134972299

Reduced:

PN3O13C18H31 (1)

Stoich.:

AB3C13D18E31 (1)

Weight, g/mol:

527.151625

ΔHf, kcal/mol:

-606.54

Dipole, Da:

5.46

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.754798

Charge, e:

 0

Chem-info

IUPAC name:

[(2S)-3-[(2S,5S)-5-(1,2-dihydroxyethyl)-3,4-dihydroxypyrrolidin-2-yl]-2-hydroxypropyl]-[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinic acid

Drug info:

PubChemData

Smile

C1=CN(C(=O)NC1=O)[C@H]2C(C([C@H](O2)COP(=O)(C[C@H](C[C@H]3C(C([C@@H]([NH2+]3)C(CO)O)O)O)O)O)O)O

DOS

IR

Vibrations