Geometry & MOs

Info

ID:

445427

PubChem CID:

135266999

Reduced:

F3N3O3H22C26 (1)

Stoich.:

A3B3C3D22E26 (1)

Weight, g/mol:

663.221259

ΔHf, kcal/mol:

-170.25

Dipole, Da:

7.16

IP(EA), eV:

 -9.56(-0.95)

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-naphthalen-2-ylacetamide

Drug info:

PubChemData

Smile

CC(C)(C#CC1=NC(=C(C=C1)C2=CC(=C(C=C2)F)C(=O)N)C(CC3=CC(=CC(=C3)F)F)NC=O)O

DOS

IR

Vibrations