Geometry & MOs

Info

ID:

181188

PubChem CID:

76715701

Reduced:

N3O5C49H51 (1)

Stoich.:

A3B5C49D51 (1)

Weight, g/mol:

711.277835

ΔHf, kcal/mol:

-57.6

Dipole, Da:

4.26

IP(EA), eV:

 -8.94(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CC2CCCCCC=CC3CC3(CC(=O)C4CC(CN4C2=O)OC5=CC(=NC6=C5C=CC(=C6)C)C7=CC=CC=C7)C(=O)NOC8=CC=CC=C8

DOS

IR

Vibrations