Geometry & MOs

Info

ID:

445421

PubChem CID:

135266938

Reduced:

ClO3F6N8H37C39 (1)

Stoich.:

AB3C6D8E37F39 (1)

Weight, g/mol:

789.233206

ΔHf, kcal/mol:

-249.13

Dipole, Da:

4.31

IP(EA), eV:

 -8.56(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3,5-difluorophenyl)-1-[6-(3-ethyl-3-hydroxypent-1-ynyl)-3-[3-(methanesulfinamido)-1-methylindazol-7-yl]pyridin-2-yl]ethyl]-6,6-difluoro-3-(trifluoromethyl)-4,5-dihydrocyclopenta[c]pyrazole-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C#CC1=NC(=C(C=C1)C2=C3C(=C(C=C2)Cl)C(=NN3C)NC(=O)CNC4CC4)C(CC5=CC(=CC(=C5)F)F)NC(=O)/N=C\6/C(=C(/C(F)F)\N)/CCC6(F)F)O

DOS

IR

Vibrations