Geometry & MOs

Info

ID:

181072

PubChem CID:

76715584

Reduced:

FN2O6C35H41 (1)

Stoich.:

AB2C6D35E41 (1)

Weight, g/mol:

640.156549

ΔHf, kcal/mol:

-235.79

Dipole, Da:

8.18

IP(EA), eV:

 -9.53(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCC=CC1CC1(CC(=O)C2CC(CN2C(=O)CCC3=CC(=CC(=C3)C)F)OC4=NC5=CC=CC=C5O4)C(=O)O

DOS

IR

Vibrations