Geometry & MOs

Info

ID:

447289

PubChem CID:

135281782

Reduced:

FO3N5C31H32 (1)

Stoich.:

AB3C5D31E32 (1)

Weight, g/mol:

516.25704

ΔHf, kcal/mol:

-46.67

Dipole, Da:

5.53

IP(EA), eV:

 -9.15(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CO[C@@H]1C[C@@H](N(C1)C(=O)C2=CC=CC(=C2)C#N)C(=O)NC3=C(C=CC(=C3)C(CCC4CC4)(C5=CC=NC=C5)N)F

DOS

IR

Vibrations