Geometry & MOs

Info

ID:

181038

PubChem CID:

76715550

Reduced:

FN3O6C30H38 (1)

Stoich.:

AB3C6D30E38 (1)

Weight, g/mol:

768.335685

ΔHf, kcal/mol:

-268.92

Dipole, Da:

6.53

IP(EA), eV:

 -9.44(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-(3-fluoro-5-methylanilino)-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C12CC1C=CCCCCCC(C(=O)N3CC(CC3C(=O)C2)OC(=O)N4CC5=C(C4)C(=CC=C5)F)N

DOS

IR

Vibrations