Geometry & MOs

Info

ID:

15822

PubChem CID:

452257

Reduced:

PO9N10C21H27 (1)

Stoich.:

AB9C10D21E27 (1)

Weight, g/mol:

594.170009

ΔHf, kcal/mol:

-298.08

Dipole, Da:

7.33

IP(EA), eV:

 -9.45(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(2S,4R,5R)-4-azido-5-[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-methylphosphoryl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(C)OC[C@H]3[C@@H](C[C@H](O3)N4C=C(C(=O)NC4=O)C)N=[N+]=[N-])N=[N+]=[N-]

DOS

IR

Vibrations