Geometry & MOs

Info

ID:

82013

PubChem CID:

49855477

Reduced:

OF5N6H23C27 (1)

Stoich.:

AB5C6D23E27 (1)

Weight, g/mol:

656.178214

ΔHf, kcal/mol:

-136.23

Dipole, Da:

4.88

IP(EA), eV:

 -9.31(-1.16)

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)-2,2,2-trifluoroethyl]acetamide;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CC(=O)N[C@](C1=CC(=C(C=C1)F)F)(C2=NC=C(C=C2)CN3CC4(C3)CN(C4)C5=CN=CC(=C5)C#N)C(F)(F)F

DOS

IR

Vibrations