Geometry & MOs

Info

ID:

83278

PubChem CID:

49857391

Reduced:

O3F5N6H29C31 (1)

Stoich.:

A3B5C6D29E31 (1)

Weight, g/mol:

514.229266

ΔHf, kcal/mol:

-200.44

Dipole, Da:

5.2

IP(EA), eV:

 -9.2(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1R)-1-[5-[[2-(5-cyanopyridin-3-yl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]pyridin-2-yl]-1-(3,4-difluorophenyl)ethyl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

C[C@@](C1=CC(=C(C=C1)F)F)(C2=NC=C(C=C2)CN3CC4(C3)CN(C4)C5=CN=CC(=C5)C#N)NC(=O)C6CC6.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations