Geometry & MOs

Info

ID:

427331

PubChem CID:

135157227

Reduced:

FSN6O10H37C41 (1)

Stoich.:

ABC6D10E37F41 (1)

Weight, g/mol:

578.174193

ΔHf, kcal/mol:

-287.84

Dipole, Da:

5.96

IP(EA), eV:

 -9.26(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl (2S)-2-[[[(3S)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)NCCOCCOCCOCC#CC4=CC=CC5=C4C(=O)N(C5)C(C6=C(C=CC(=C6)F)O)C(=O)NC7=NC=CS7

DOS

IR

Vibrations