Geometry & MOs

Info

ID:	314549
PubChem CID:	126622113
Reduced:	FN3O3H16C18 (1)
Stoich.:	AB3C3D16E18 (1)
Weight, g/mol:	342.137971
ΔH_f, kcal/mol:	-69.26
Dipole, Da:	7.24
IP(EA), eV:	-8.94(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-3-methoxynaphthalene-2-carbonitrile

Drug info:

PubChemData

Smile

COC1=C(C=C2C=CN=C(C2=C1)OCC3C4(CC4)C(C(=O)N3)F)C#N

DOS

IR

Vibrations