Geometry & MOs

Info

ID:

445446

PubChem CID:

135267129

Reduced:

O2N6F7H29C35 (1)

Stoich.:

A2B6C7D29E35 (1)

Weight, g/mol:

839.189149

ΔHf, kcal/mol:

-269.54

Dipole, Da:

2.26

IP(EA), eV:

 -8.89(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1S)-1-[3-[4-chloro-3-(methanesulfonamido)-1-methylindazol-7-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)pyridin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-[6,6-difluoro-4-methyl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[c]pyrazol-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C2C(=NN1)C=CC=C2C3=C(N=C(C=C3)C#CC(C)(C)O)C(CC4=CC(=CC(=C4)F)F)NC(=O)CN5C6=C(CCC6(F)F)C(=N5)C(F)(F)F

DOS

IR

Vibrations