Geometry & MOs

Info

ID:

219472

PubChem CID:

85148726

Reduced:

NPF2S2O9C17H18 (1)

Stoich.:

ABC2D2E9F17G18 (1)

Weight, g/mol:

515.16637

ΔHf, kcal/mol:

-463.16

Dipole, Da:

2.97

IP(EA), eV:

 -9.14(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5-fluoro-2,4-dioxo-1,3-diazinan-1-yl)methyl 6-[[1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-6-oxohexanoate

Drug info:

PubChemData

Smile

COS(=O)(=O)N(C1=C(C=CC(=C1)C(F)(F)P(=O)(O)O)C=CC2=CC=CC=C2)S(=O)(=O)OC

DOS

IR

Vibrations