Geometry & MOs

Info

ID:

193658

PubChem CID:

78419675

Reduced:

NO8C31H35 (1)

Stoich.:

AB8C31D35 (1)

Weight, g/mol:

983.406948

ΔHf, kcal/mol:

-320.21

Dipole, Da:

9.38

IP(EA), eV:

 -8.59(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-ethynyl-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-octadecoxypropyl] [5-(5-fluoro-2,4-dioxo-1,3-diazinan-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C2C3=CCC4C(C3CC5C2(C(=O)C(=C(C5=O)C)C)C)C(=O)N(C4=O)CCCC(=O)O)O

DOS

IR

Vibrations