Geometry & MOs

Info

ID:

16796

PubChem CID:

476990

Reduced:

PS4N5O9C18H30 (1)

Stoich.:

AB4C5D9E18F30 (1)

Weight, g/mol:

619.066399

ΔHf, kcal/mol:

-400.27

Dipole, Da:

7.44

IP(EA), eV:

 -9.12(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl bis[2-(2-hydroxyethyldisulfanyl)ethyl] phosphate

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(OCCSSCCO)OCCSSCCO)N=[N+]=[N-]

DOS

IR

Vibrations