Geometry & MOs

Info

ID:

83438

PubChem CID:

49857590

Reduced:

O4F5N6C31H31 (1)

Stoich.:

A4B5C6D31E31 (1)

Weight, g/mol:

532.239831

ΔHf, kcal/mol:

-292.81

Dipole, Da:

6.62

IP(EA), eV:

 -9.24(-1.12)

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

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.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations