Geometry & MOs

Info

ID:

181106

PubChem CID:

76715618

Reduced:

FN3O6C36H44 (1)

Stoich.:

AB3C6D36E44 (1)

Weight, g/mol:

880.390343

ΔHf, kcal/mol:

-244.37

Dipole, Da:

7.13

IP(EA), eV:

 -8.47(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[1-(2-benzylnon-8-enoyl)-4-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethenyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CCCCCCC=CC1CC1(CC(=O)C2CC(CN2C(=O)CNC3=CC=CC=C3)OC(=O)N4CC5=C(C4)C(=CC=C5)F)C(=O)OC

DOS

IR

Vibrations