Geometry & MOs

Info

ID:

445445

PubChem CID:

135267128

Reduced:

O3N5F7H32C39 (1)

Stoich.:

A3B5C7D32E39 (1)

Weight, g/mol:

698.224021

ΔHf, kcal/mol:

-305.63

Dipole, Da:

4.1

IP(EA), eV:

 -9.61(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3,5-difluorophenyl)-1-[6-(3-hydroxy-3-methylbut-1-ynyl)-3-(3-methyl-2H-indazol-4-yl)pyridin-2-yl]ethyl]-2-[6,6-difluoro-3-(trifluoromethyl)-4,5-dihydrocyclopenta[c]pyrazol-1-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C#CC1=NC(=C(C=C1)C2=CC3=C(C=C2)C4(CC4)NC3=O)[C@H](CC5=CC(=CC(=C5)F)F)NC(=O)CN6C7=C([C@H]8CC[C@H]8C7(F)F)C(=N6)C(F)(F)F)O

DOS

IR

Vibrations