Geometry & MOs

Info

ID:

181149

PubChem CID:

76715661

Reduced:

SN2F3O5C35H37 (1)

Stoich.:

AB2C3D5E35F37 (1)

Weight, g/mol:

600.265794

ΔHf, kcal/mol:

-295.82

Dipole, Da:

7.34

IP(EA), eV:

 -9.32(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C12CC1C=CCCCCCC(C(=O)N3CC(CC3C(=O)C2)OC4=NC5=CC=CC=C5S4)CC6=CC(=CC=C6)C(F)(F)F

DOS

IR

Vibrations