Geometry & MOs

Info

ID:

82007

PubChem CID:

49855470

Reduced:

SN2O3H20C21 (1)

Stoich.:

AB2C3D20E21 (1)

Weight, g/mol:

656.178214

ΔHf, kcal/mol:

-51.7

Dipole, Da:

4.76

IP(EA), eV:

 -9.03(-0.9)

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

Drug info:

PubChemData

Smile

C1CC(C(=O)N(C1)C2=CC=CC=C2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations