Geometry & MOs

Info

ID:

318431

PubChem CID:

126651360

Reduced:

SN4O5C24H30 (1)

Stoich.:

AB4C5D24E30 (1)

Weight, g/mol:

502.188606

ΔHf, kcal/mol:

-40.21

Dipole, Da:

4.86

IP(EA), eV:

 -8.8(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-hydroxy-2-methyl-2-methylsulfonyl-4-[6-[4-[1-(oxan-4-yl)azetidin-3-yl]buta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]butanamide

Drug info:

PubChemData

Smile

C[C@@](CCN1CC2=CC(=CN2C1=O)C#CC#CC3CN(C3)C4CCCC4)(C(=O)NO)S(=O)(=O)C

DOS

IR

Vibrations