Geometry & MOs

Info

ID:

82010

PubChem CID:

49855474

Reduced:

O3N6F8H24C29 (1)

Stoich.:

A3B6C8D24E29 (1)

Weight, g/mol:

542.18535

ΔHf, kcal/mol:

-360.43

Dipole, Da:

3.78

IP(EA), eV:

 -9.27(-1.13)

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]-2,2-difluoro-1-(3,4,5-trifluorophenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC(=O)N[C@@](C1=NC=C(C=C1)CN2CC3(C2)CN(C3)C4=CN=CC(=C4)C#N)(C5=CC(=C(C(=C5)F)F)F)C(F)F.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations