Geometry & MOs

Info

ID:

181754

PubChem CID:

76789420

Reduced:

SF4O5N6C29H34 (1)

Stoich.:

AB4C5D6E29F34 (1)

Weight, g/mol:

600.283552

ΔHf, kcal/mol:

-326.55

Dipole, Da:

4.52

IP(EA), eV:

 -8.93(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[2-(2-ethenyl-1-ethoxycarbonylcyclopropyl)acetyl]-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CN(C)CCCNC(=O)C1=CC(=C(C=C1F)NC2=NC=C(C(=N2)OC3CC4=CC=CC=C4C3N(C)S(=O)(=O)C)C(F)(F)F)OC

DOS

IR

Vibrations