Geometry & MOs

Info

ID:

443844

PubChem CID:

135260151

Reduced:

O2F6N8H30C37 (1)

Stoich.:

A2B6C8D30E37 (1)

Weight, g/mol:

593.236909

ΔHf, kcal/mol:

-134.46

Dipole, Da:

8.57

IP(EA), eV:

 -8.3(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S)-1-[3-(3-amino-4-chloro-1-methylindazol-7-yl)-6-(3,3-dimethylbut-1-ynyl)pyridin-2-yl]-2-(3,5-difluorophenyl)ethyl]-tert-butylcarbamic acid

Drug info:

PubChemData

Smile

CC(C)(C#CC1=NC(=C(C=C1)C2=C3C(=C(C=C2)C#N)C(=NN3C)N)C(CC4=CC(=CC(=C4)F)F)NC(=O)CN5C6=C([C@H]7C[C@H]7C6(F)F)C(=N5)C(F)F)O

DOS

IR

Vibrations