Geometry & MOs

Info

ID:

445431

PubChem CID:

135267024

Reduced:

O3N5F8H29C35 (1)

Stoich.:

A3B5C8D29E35 (1)

Weight, g/mol:

681.127665

ΔHf, kcal/mol:

-364.39

Dipole, Da:

5.7

IP(EA), eV:

 -9.4(-1.05)

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-(2,3-dichlorophenyl)acetamide

Drug info:

PubChemData

Smile

CC(C)(C#CC1=NC(=C(C=C1)C2=CC(=C(C=C2)F)C(=O)N)[C@H](CC3=CC(=CC(=C3)F)F)NC(=O)CN=C4/C(=C(/C(F)(F)F)\N)/[C@H]5C[C@H]5C4(F)F)O

DOS

IR

Vibrations