Geometry & MOs

Info

ID:

16808

PubChem CID:

477072

Reduced:

P2N10O13C20H26 (1)

Stoich.:

A2B10C13D20E26 (1)

Weight, g/mol:

676.115605

ΔHf, kcal/mol:

-541.7

Dipole, Da:

1.94

IP(EA), eV:

 -9.82(-1.08)

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]methoxy-hydroxyphosphoryl] [(2R,3R,5S)-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)OP(=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