Geometry & MOs

Info

ID:	416502
PubChem CID:	135089517
Reduced:	ClFNOC16H21 (1)
Stoich.:	ABCDE16F21 (1)
Weight, g/mol:	430.140783
ΔH_f, kcal/mol:	-99.57
Dipole, Da:	3.4
IP(EA), eV:	-8.96(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

C1C[C@H]([C@]2(C1)CCCN(C2)CC3=C(C(=CC=C3)F)Cl)O

DOS

IR

Vibrations