Geometry & MOs

Info

ID:

83437

PubChem CID:

49857589

Reduced:

F2O2N6C29H30 (1)

Stoich.:

A2B2C6D29E30 (1)

Weight, g/mol:

646.232694

ΔHf, kcal/mol:

-42.81

Dipole, Da:

3.6

IP(EA), eV:

 -9.23(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1S)-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)C(C)(C)O

DOS

IR

Vibrations