Geometry & MOs

Info

ID:

445466

PubChem CID:

135267187

Reduced:

O2N8F9H31C37 (1)

Stoich.:

A2B8C9D31E37 (1)

Weight, g/mol:

696.242723

ΔHf, kcal/mol:

-332.88

Dipole, Da:

6.87

IP(EA), eV:

 -9.21(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1S)-1-[3-(3-amino-4-chloro-1-methylindazol-7-yl)-6-(3-hydroxy-3-methylbut-1-ynyl)pyridin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-(4,7-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)(C#CC1=NC(=C(C=C1)C2=CC=CN3C2=NN=C3NCC(F)(F)F)[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)O

DOS

IR

Vibrations