Geometry & MOs

Info

ID:

83435

PubChem CID:

49857587

Reduced:

OF2N6H28C29 (1)

Stoich.:

AB2C6D28E29 (1)

Weight, g/mol:

646.232694

ΔHf, kcal/mol:

32.98

Dipole, Da:

5.32

IP(EA), eV:

 -9.2(-1.08)

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]-2-hydroxy-2-methylpropanamide;2,2,2-trifluoroacetic acid

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

DOS

IR

Vibrations