Geometry & MOs

Info

ID:

229472

PubChem CID:

87567772

Reduced:

SN4O4F6H22C23 (1)

Stoich.:

AB4C4D6E22F23 (1)

Weight, g/mol:

492.146741

ΔHf, kcal/mol:

-331.85

Dipole, Da:

6.58

IP(EA), eV:

 -9.88(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[1-azabicyclo[2.2.2]octan-3-yl-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]amino]-2-oxoethyl] formate

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2C(=O)C3=CC=C(C=C3)C(F)(F)F)[C@@H](C(=O)N4[C@H](CSC4OC(=O)C(F)(F)F)C#N)N

DOS

IR

Vibrations