Geometry & MOs

Info

ID:

445513

PubChem CID:

135267508

Reduced:

ClSO2F6N8H33C35 (1)

Stoich.:

ABC2D6E8F33G35 (1)

Weight, g/mol:

761.201906

ΔHf, kcal/mol:

-199.66

Dipole, Da:

2.87

IP(EA), eV:

 -8.6(-1.16)

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-[1-(methanesulfinamido)-3-methylimidazo[1,5-a]pyridin-5-yl]pyridin-2-yl]ethyl]-6,6-difluoro-3-(trifluoromethyl)-4,5-dihydrocyclopenta[c]pyrazole-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C#CC1=NC(=C(C=C1)C2=CC=C(N3C2=NN=C3NS(=O)C)Cl)C(CC4=CC(=CC(=C4)F)F)NC(=O)CN=C5/C(=C(/C(F)F)\N)/CCC5(F)F

DOS

IR

Vibrations