Geometry & MOs

Info

ID:

83137

PubChem CID:

49857194

Reduced:

OF4N6H26C28 (1)

Stoich.:

AB4C6D26E28 (1)

Weight, g/mol:

538.210422

ΔHf, kcal/mol:

-85.59

Dipole, Da:

1.63

IP(EA), eV:

 -9.23(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1R)-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@H](C1=CN=C(C=C1)[C@](C)(C2=CC(=C(C=C2)F)F)NC(=O)C(F)F)N3CC4(C3)CN(C4)C5=CN=CC(=C5)C#N

DOS

IR

Vibrations