Geometry & MOs

Info

ID:	447295
PubChem CID:	135281804
Reduced:	FN3O3C23H32 (1)
Stoich.:	AB3C3D23E32 (1)
Weight, g/mol:	426.243104
ΔH_f, kcal/mol:	-162.08
Dipole, Da:	8.58
IP(EA), eV:	-8.76(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CO[C@@H]1C[C@@H](NC1)C(=O)NC2=C(C=CC(=C2)CC[C@@H](C3CC3)N4CCCCC4=O)F

DOS

IR

Vibrations