Geometry & MOs

Info

ID:

181140

PubChem CID:

76715652

Reduced:

FS2N3O6C39H46 (1)

Stoich.:

AB2C3D6E39F46 (1)

Weight, g/mol:

662.281444

ΔHf, kcal/mol:

-222.79

Dipole, Da:

13.06

IP(EA), eV:

 -9.24(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(S2)OC3CC4C(=O)CC5(CC5C=CCCCCCC(C(=O)N4C3)CC6=CC(=CC(=C6)C)F)C(=O)NS(=O)(=O)C7(CC7)C

DOS

IR

Vibrations