Geometry & MOs

Info

ID:

379261

PubChem CID:

134356950

Reduced:

SN8O9C22H28 (1)

Stoich.:

AB8C9D22E28 (1)

Weight, g/mol:

593.188168

ΔHf, kcal/mol:

-291.05

Dipole, Da:

8.34

IP(EA), eV:

 -9.42(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-O-[[3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl] 4-O-[[3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl] butanedioate

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC(=O)CCC(=O)OCC(CS)OCN3C=CC(=NC3=O)N)N=[N+]=[N-]

DOS

IR

Vibrations