Geometry & MOs

Info

ID:

447308

PubChem CID:

135281892

Reduced:

ClO2N9C26H30 (1)

Stoich.:

AB2C9D26E30 (1)

Weight, g/mol:

516.25704

ΔHf, kcal/mol:

41.53

Dipole, Da:

7.82

IP(EA), eV:

 -7.92(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,4R)-N-[5-[(1R)-1-[[(R)-tert-butylsulfinyl]amino]-3-cyclopropyl-1-pyridin-4-ylpropyl]-2-fluorophenyl]-4-methoxypyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C2=CN3C=CC(=CC3=N2)N4CCN(CC4)C5=NC(=NC(=N5)N6CCCC6)N)Cl)OC

DOS

IR

Vibrations