Geometry & MOs

Info

ID:

134397

PubChem CID:

51690255

Reduced:

FSN2O3C26H27 (1)

Stoich.:

ABC2D3E26F27 (1)

Weight, g/mol:

453.139213

ΔHf, kcal/mol:

-108.3

Dipole, Da:

6.66

IP(EA), eV:

 -9.34(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2R)-butan-2-yl]-2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)N[C@H](CC3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations