Geometry & MOs

Info

ID:

309723

PubChem CID:

126556203

Reduced:

ClSO3N4C19H23 (1)

Stoich.:

ABC3D4E19F23 (1)

Weight, g/mol:

593.157459

ΔHf, kcal/mol:

-9.45

Dipole, Da:

4.91

IP(EA), eV:

 -9.38(-1.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl 2-[[[(1S,3R,4R,5S)-3-(2,4-dioxopyrimidin-1-yl)-1-fluoro-4,5-dihydroxy-4-methyl-2-oxabicyclo[3.1.0]hexan-6-yl]oxy-naphthalen-1-yloxyphosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C[C@H]2[C@H]1CN(C2)S(=N)(=O)C3=CC=CC4=CN=CC(=C43)Cl

DOS

IR

Vibrations