Geometry & MOs

Info

ID:

442065

PubChem CID:

135248951

Reduced:

FPN2S2O13C20H30 (1)

Stoich.:

ABC2D2E13F20G30 (1)

Weight, g/mol:

602.119146

ΔHf, kcal/mol:

-672.18

Dipole, Da:

9.59

IP(EA), eV:

 -9.11(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[[hydroxy-[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-2-[(propan-2-yldisulfanyl)methoxymethyl]butanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(COCSSC)(COP(=O)(O)OC1[C@@H](C(OC1CO)N2C=CC(=O)NC2=O)F)C(=O)OCC

DOS

IR

Vibrations