Geometry & MOs

Info

ID:

4078

PubChem CID:

10705

Reduced:

P2N3C17O17H27 (1)

Stoich.:

A2B3C17D17E27 (1)

Weight, g/mol:

607.08157

ΔHf, kcal/mol:

-872.87

Dipole, Da:

5.67

IP(EA), eV:

 -10.19(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate

Drug info:

PubChemData

Smile

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O

DOS

IR

Vibrations