Geometry & MOs

Info

ID:

378295

PubChem CID:

134224371

Reduced:

F3O3N7H18C22 (1)

Stoich.:

A3B3C7D18E22 (1)

Weight, g/mol:

554.160022

ΔHf, kcal/mol:

-172.67

Dipole, Da:

6.22

IP(EA), eV:

 -8.6(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S)-4-methyl-3-oxopentan-2-yl] (2S)-2-[[[(2R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

CN(C)C(=O)C(=O)C1=CC=CC=C1NC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)N4

DOS

IR

Vibrations