Geometry & MOs

Info

ID:

82012

PubChem CID:

49855476

Reduced:

O3N6F8H24C29 (1)

Stoich.:

A3B6C8D24E29 (1)

Weight, g/mol:

542.18535

ΔHf, kcal/mol:

-378.27

Dipole, Da:

9.94

IP(EA), eV:

 -9.23(-1.18)

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]-1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl]acetamide

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

DOS

IR

Vibrations