Geometry & MOs

Info

ID:

445509

PubChem CID:

135267502

Reduced:

SO4F7N7H38C40 (1)

Stoich.:

AB4C7D7E38F40 (1)

Weight, g/mol:

757.23667

ΔHf, kcal/mol:

-323.98

Dipole, Da:

1.45

IP(EA), eV:

 -8.81(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(C)(C#CC1=NC(=C(C=C1)C2=CC=CC3=C2N(N=C3NS(=O)(=O)C)C)[C@H](CC4=CC(=CC(=C4)F)F)NC(=O)CN5C6=C([C@H]7CC[C@H]7C6(F)F)C(=N5)C(F)(F)F)O

DOS

IR

Vibrations