Geometry & MOs

Info

ID:

442066

PubChem CID:

135248982

Reduced:

PN2S3O10C21H35 (1)

Stoich.:

AB2C3D10E21F35 (1)

Weight, g/mol:

678.131819

ΔHf, kcal/mol:

-534.92

Dipole, Da:

3.92

IP(EA), eV:

 -9.36(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

bis(prop-2-ynyl) 2-[[[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-methoxyphosphoryl]oxymethyl]-2-[(propan-2-yldisulfanyl)methoxymethyl]propanedioate

Drug info:

PubChemData

Smile

CCC(COCSSC(C)C)(COP(=S)(O)OC1CC(OC1CO)N2C=C(C(=O)NC2=O)C)C(=O)OC

DOS

IR

Vibrations