Geometry & MOs

Info

ID:

181098

PubChem CID:

76715610

Reduced:

FSN3O5C40H42 (1)

Stoich.:

ABC3D5E40F42 (1)

Weight, g/mol:

600.265794

ΔHf, kcal/mol:

-106.0

Dipole, Da:

3.97

IP(EA), eV:

 -9.02(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CC2CCCCCC=CC3CC3(CC(=O)C4CC(CN4C2=O)OC5=NC6=C(S5)C=C(C=C6)F)C(=O)NOC7=CC=CC=C7

DOS

IR

Vibrations