Geometry & MOs

Info

ID:

181207

PubChem CID:

76715720

Reduced:

SF3N3O7C39H44 (1)

Stoich.:

AB3C3D7E39F44 (1)

Weight, g/mol:

677.292343

ΔHf, kcal/mol:

-362.82

Dipole, Da:

6.54

IP(EA), eV:

 -9.92(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-(1,3-benzothiazol-2-yloxy)-2,15-dioxo-N-phenoxy-14-(2-phenylethyl)-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

Drug info:

PubChemData

Smile

CC1(CC1)S(=O)(=O)NC(=O)C23CC2C=CCCCCCC(C(=O)N4CC(CC4C(=O)C3)OC(=O)N5CC6=C(C5)C(=CC=C6)F)CC7=CC(=C(C=C7)F)F

DOS

IR

Vibrations