Geometry & MOs

Info

ID:

181209

PubChem CID:

76715722

Reduced:

SF2N2O5C33H34 (1)

Stoich.:

AB2C2D5E33F34 (1)

Weight, g/mol:

664.16066

ΔHf, kcal/mol:

-217.64

Dipole, Da:

5.44

IP(EA), eV:

 -9.26(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-[(6-bromo-1,3-benzothiazol-2-yl)oxy]-2,15-dioxo-14-(2-phenylethyl)-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)CC4=CC(=CC(=C4)F)F)OC5=NC6=CC=CC=C6S5)C(=O)O

DOS

IR

Vibrations