Geometry & MOs

Info

ID:

181097

PubChem CID:

76715609

Reduced:

NO4C16H20 (2)

Stoich.:

AB4C16D20 (2)

Weight, g/mol:

695.282921

ΔHf, kcal/mol:

-286.73

Dipole, Da:

5.62

IP(EA), eV:

 -9.2(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CC1CCCCCC=CC2CC2(CC(=O)C3CC(CN3C1=O)OC4=NC5=CC=CC=C5O4)C(=O)O

DOS

IR

Vibrations