Geometry & MOs

Info

ID:

181154

PubChem CID:

76715666

Reduced:

BrFSN3O5C39H39 (1)

Stoich.:

ABCD3E5F39G39 (1)

Weight, g/mol:

699.257849

ΔHf, kcal/mol:

-97.71

Dipole, Da:

4.59

IP(EA), eV:

 -8.89(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]-14-[(3-fluorophenyl)methyl]-2,15-dioxo-N-phenoxy-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC=CC2CC2(CC(=O)C3CC(CN3C(=O)C(CC1)CC4=CC(=CC=C4)F)OC5=NC6=C(S5)C=C(C=C6)Br)C(=O)NOC7=CC=CC=C7

DOS

IR

Vibrations