Geometry & MOs

Info

ID:

49694

PubChem CID:

11533572

Reduced:

SO3F4N4H22C23 (1)

Stoich.:

AB3C4D4E22F23 (1)

Weight, g/mol:

510.24131

ΔHf, kcal/mol:

-226.24

Dipole, Da:

6.02

IP(EA), eV:

 -9.05(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-(2-ethenylpyrrolidin-1-yl)pyridin-2-yl]-N-methylpropane-2-sulfonamide

Drug info:

PubChemData

Smile

C1CN(C2=CC=CC=C21)S(=O)(=O)C[C@@H](C(=O)NC3(CC3)C#N)N[C@@H](C4=CC=C(C=C4)F)C(F)(F)F

DOS

IR

Vibrations