Geometry & MOs

Info

ID:

318436

PubChem CID:

126651366

Reduced:

ON7C15H19 (1)

Stoich.:

AB7C15D19 (1)

Weight, g/mol:

1062.379103

ΔHf, kcal/mol:

44.12

Dipole, Da:

7.27

IP(EA), eV:

-8.25(-0.3)

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;(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

C1=CC=C2C(=C1)C3=C(C(=N2)N)N=CN3CCOCCN=C(N)N

DOS

IR

Vibrations