Geometry & MOs

Info

ID:

445457

PubChem CID:

135267145

Reduced:

ClSO4N7F8H32C38 (1)

Stoich.:

ABC4D7E8F32G38 (1)

Weight, g/mol:

552.131065

ΔHf, kcal/mol:

-374.17

Dipole, Da:

8.63

IP(EA), eV:

 -8.58(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[7-[2-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-5-pyridin-3-ylpyridin-3-yl]-4-chloro-1-methylindazol-3-yl]methanesulfinamide

Drug info:

PubChemData

Smile

CC(CF)(C#CC1=NC(=C(C=C1)C2=C3C(=C(C=C2)Cl)C(=NN3C)NS(=O)(=O)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