Geometry & MOs

Info

ID:

318497

PubChem CID:

126651536

Reduced:

SN4O7C22H24 (1)

Stoich.:

AB4C7D22E24 (1)

Weight, g/mol:

464.152969

ΔHf, kcal/mol:

-161.49

Dipole, Da:

8.01

IP(EA), eV:

 -8.82(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[6-[4-[(3R)-3-fluoro-1-methylpyrrolidin-3-yl]buta-1,3-diynyl]-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)C#CC3=CC=C(C=C3)CNC(=O)O)(C(=O)NO)S(=O)(=O)C

DOS

IR

Vibrations