Geometry & MOs

Info

ID:

318363

PubChem CID:

126650790

Reduced:

N2O3C24H24 (1)

Stoich.:

A2B3C24D24 (1)

Weight, g/mol:

518.18352

ΔHf, kcal/mol:

-38.23

Dipole, Da:

4.3

IP(EA), eV:

 -7.98(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-N-hydroxy-4-[6-[4-[4-hydroxy-1-(oxetan-3-yl)piperidin-4-yl]buta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2C=CC3=C(N2)C=CN(C3)CC(=O)O)OCC4=CC=CC=C4

DOS

IR

Vibrations