Geometry & MOs

Info

ID:	314911
PubChem CID:	126623958
Reduced:	FO3N8C31H31 (1)
Stoich.:	AB3C8D31E31 (1)
Weight, g/mol:	329.037875
ΔH_f, kcal/mol:	-39.7
Dipole, Da:	9.01
IP(EA), eV:	-8.85(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-2-[5-(3-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-fluoropyrrolidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC(=O)[C@@H]2CCC(CCN2C(=O)CN3C=C(C4=C3C=CC(=C4)C5=CN6C(=CC(=N6)C)N=C5)C(=O)N)F

DOS

IR

Vibrations