Geometry & MOs

Info

ID:

181189

PubChem CID:

76715702

Reduced:

FSN3O6C40H42 (1)

Stoich.:

ABC3D6E40F42 (1)

Weight, g/mol:

606.195521

ΔHf, kcal/mol:

-148.69

Dipole, Da:

5.1

IP(EA), eV:

 -8.69(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N=C(S2)OC3CC4C(=O)CC5(CC5C=CCCCCCC(C(=O)N4C3)CC6=CC(=CC=C6)F)C(=O)NOC7=CC=CC=C7

DOS

IR

Vibrations