Geometry & MOs

Info

ID:

318438

PubChem CID:

126651369

Reduced:

FSN4O6C25H29 (1)

Stoich.:

ABC4D6E25F29 (1)

Weight, g/mol:

530.199919

ΔHf, kcal/mol:

-151.5

Dipole, Da:

5.49

IP(EA), eV:

 -8.86(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-4-[6-[2-fluoro-4-[2-(1-methylpiperidin-4-yl)ethynyl]phenyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

Drug info:

PubChemData

Smile

C[C@@](CCN1CC2=CC(=CN2C1=O)C3=C(C=C(C=C3)C#CC4CN(C4)CCO)F)(C(=O)NO)S(=O)(=O)C

DOS

IR

Vibrations