Geometry & MOs

Info

ID:

440214

PubChem CID:

135230125

Reduced:

SN2O6H20C23 (1)

Stoich.:

AB2C6D20E23 (1)

Weight, g/mol:

924.171813

ΔHf, kcal/mol:

-152.43

Dipole, Da:

7.15

IP(EA), eV:

 -8.55(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[(2S)-5-[4-amino-5-[3-[[2-[2-[2-[3-(2-aminoethylcarbamoyl)phenoxy]-1-azidoethoxy]ethoxy]acetyl]amino]prop-1-ynyl]-2-oxopyrimidin-1-yl]-3-(azidomethoxy)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

Drug info:

PubChemData

Smile

CC1(C=C(C2=C(N1C)C=C3C(=C2)C=C(C(=O)O3)C4=NC5=CC=CC=C5O4)CS(=O)(=O)O)C

DOS

IR

Vibrations