Geometry & MOs

Info

ID:

83136

PubChem CID:

49857193

Reduced:

OF4N6H24C27 (1)

Stoich.:

AB4C6D24E27 (1)

Weight, g/mol:

538.210422

ΔHf, kcal/mol:

-78.07

Dipole, Da:

9.22

IP(EA), eV:

 -9.23(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1S)-1-[5-[(1R)-1-[6-(5-cyanopyridin-3-yl)-2,6-diazaspiro[3.3]heptan-2-yl]ethyl]pyridin-2-yl]-1-(3,4-difluorophenyl)ethyl]-2,2-difluoroacetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations