Geometry & MOs

Info

ID:

15799

PubChem CID:

451440

Reduced:

PN10O10C20H25 (1)

Stoich.:

AB10C10D20E25 (1)

Weight, g/mol:

596.149274

ΔHf, kcal/mol:

-344.85

Dipole, Da:

7.59

IP(EA), eV:

 -9.65(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)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