Geometry & MOs

Info

ID:

437467

PubChem CID:

135226392

Reduced:

F3O3N10C34H37 (1)

Stoich.:

A3B3C10D34E37 (1)

Weight, g/mol:

535.147426

ΔHf, kcal/mol:

-86.63

Dipole, Da:

6.82

IP(EA), eV:

 -8.93(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2R,4S)-2-[2-(3-acetylindazol-1-yl)acetyl]-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluorocyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CC3=C(N=C2)N(N=C3CN4CCC(C4)(F)F)C)C5=CC=CC=C5)NC(=O)N[C@@H]6CN(O[C@H]6C7=CC(=NC=C7)F)CCOC

DOS

IR

Vibrations