Geometry & MOs

Info

ID:

445432

PubChem CID:

135267026

Reduced:

F2O2Cl3N5H28C34 (1)

Stoich.:

A2B2C3D5E28F34 (1)

Weight, g/mol:

670.207086

ΔHf, kcal/mol:

-47.4

Dipole, Da:

6.2

IP(EA), eV:

 -8.27(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1S)-1-[3-(3-amino-4-chloro-1-methylindazol-7-yl)-6-(3-hydroxy-3-methylbut-1-ynyl)pyridin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)(C#CC1=NC(=C(C=C1)C2=C3C(=C(C=C2)Cl)C(=NN3C)N)[C@H](CC4=CC(=CC(=C4)F)F)NC(=O)CC5=C(C(=CC=C5)Cl)Cl)O

DOS

IR

Vibrations