Geometry & MOs

Info

ID:

160917

PubChem CID:

57390235

Reduced:

N2O8H16C25 (1)

Stoich.:

A2B8C16D25 (1)

Weight, g/mol:

4607.796582

ΔHf, kcal/mol:

-216.0

Dipole, Da:

7.25

IP(EA), eV:

-9.44(-1.97)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[(2R,3R,4R,5R)-4-(2-cyanoethoxymethoxy)-2-[[[(2R,3R,4R,5R)-4-(2-cyanoethoxymethoxy)-2-[[[(2R,3R,4R,5R)-4-(2-cyanoethoxymethoxy)-2-[[[(2R,3R,4R,5R)-4-(2-cyanoethoxymethoxy)-2-[[[(2R,3R,4R,5R)-4-(2-cyanoethoxymethoxy)-2-[[[(2R,3R,4R,5R)-4-(2-cyanoethoxymethoxy)-2-[[[(2R,3R,4R,5R)-4-(2-cyanoethoxymethoxy)-2-[[[(2R,3R,4R,5R)-4-(2-cyanoethoxymethoxy)-2-[[[(2R,3R,4R,5R)-4-(2-cyanoethoxymethoxy)-2-[[[(2R,3R,4R,5R)-4-(2-cyanoethoxymethoxy)-2-[[[(2R,3R,4R,5R)-4-(2-cyanoethoxymethoxy)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [(2R,3R,4R,5R)-4-(2-cyanoethoxymethoxy)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate

Drug info:

PubChemData

Smile

CC1=C(OC2=CC3=C(C=C12)C(=O)C(=CO3)C=C4C(=O)NC(=O)NC4=O)C(=O)C5=CC=C(C=C5)OC

DOS

IR

Vibrations