Geometry & MOs

Info

ID:

83439

PubChem CID:

49857591

Reduced:

F2O2N6C29H30 (1)

Stoich.:

A2B2C6D29E30 (1)

Weight, g/mol:

550.210422

ΔHf, kcal/mol:

-40.34

Dipole, Da:

3.27

IP(EA), eV:

 -9.21(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[5-[[2-(5-cyanopyridin-3-yl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]pyridin-2-yl]-cyclopropyl-(3,4-difluorophenyl)methyl]-2,2-difluoroacetamide

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)C(C)(C)O

DOS

IR

Vibrations