Geometry & MOs

Info

ID:

318437

PubChem CID:

126651368

Reduced:

F2S2N8O11C51H60 (1)

Stoich.:

A2B2C8D11E51F60 (1)

Weight, g/mol:

532.179184

ΔHf, kcal/mol:

-313.29

Dipole, Da:

9.28

IP(EA), eV:

 -8.59(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-4-[6-[2-fluoro-4-[2-[1-(2-hydroxyethyl)azetidin-3-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#CC4CCN(CC4)C)F)(C(=O)NO)S(=O)(=O)C.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