Geometry & MOs

Info

ID:

313539

PubChem CID:

126615670

Reduced:

FN2O2H31C32 (1)

Stoich.:

AB2C2D31E32 (1)

Weight, g/mol:

511.083918

ΔHf, kcal/mol:

-68.7

Dipole, Da:

6.94

IP(EA), eV:

 -9.14(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-carbamoyl-1-[2-[(2S,4R)-4-fluoro-2-[(6-methylpyridin-2-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[4,3-d][1,3]thiazol-5-yl]phosphonic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(C(=NC(=C2CC(=O)O)C)C)C3=CC4=C(CN(CC4)CC5=CC=CC=C5F)C=C3

DOS

IR

Vibrations