Geometry & MOs

Info

ID:

82009

PubChem CID:

49855473

Reduced:

OF5N6H23C27 (1)

Stoich.:

AB5C6D23E27 (1)

Weight, g/mol:

656.178214

ΔHf, kcal/mol:

-127.1

Dipole, Da:

4.52

IP(EA), eV:

 -9.26(-1.12)

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;2,2,2-trifluoroacetic acid

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

DOS

IR

Vibrations