Geometry & MOs

Info

ID:

442256

PubChem CID:

135250854

Reduced:

PSN3O10C22H36 (1)

Stoich.:

ABC3D10E22F36 (1)

Weight, g/mol:

575.134736

ΔHf, kcal/mol:

-516.13

Dipole, Da:

10.23

IP(EA), eV:

 -9.19(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(2R,4S,5R)-5-[[(benzylamino)-[2-(tert-butyldisulfanyl)ethoxy]phosphoryl]oxymethyl]-3,4-dihydroxythiolan-2-yl]-4-methylpyrimidin-2-one

Drug info:

PubChemData

Smile

CCOC(=O)COP(=O)(N[C@@H](CC(C)C)C(=O)OCC)OC[C@@H]1[C@H](C([C@@H](S1)N2C=CC(=NC2=O)C)O)O

DOS

IR

Vibrations