Geometry & MOs

Info

ID:

181023

PubChem CID:

76715534

Reduced:

SN3O5C26H31 (1)

Stoich.:

AB3C5D26E31 (1)

Weight, g/mol:

640.221878

ΔHf, kcal/mol:

-143.23

Dipole, Da:

7.75

IP(EA), eV:

 -9.22(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-(1,3-benzothiazol-2-yloxy)-2,15-dioxo-14-[[3-(trifluoromethyl)phenyl]methyl]-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC=CC2CC2(CC(=O)C3CC(CN3C(=O)C(CC1)N)OC4=NC5=CC=CC=C5S4)C(=O)O

DOS

IR

Vibrations