Geometry & MOs

Info

ID:	139844
PubChem CID:	52606780
Reduced:	ClFO3N4C21H28 (1)
Stoich.:	ABC3D4E21F28 (1)
Weight, g/mol:	438.183397
ΔH_f, kcal/mol:	-121.43
Dipole, Da:	5.05
IP(EA), eV:	-8.76(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-(2-chloro-6-fluorophenyl)-2-[(2R)-2-methylmorpholin-4-yl]ethyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide

Drug info:

PubChemData

Smile

CCCC1=NOC(=N1)CCC(=O)NC[C@@H](C2=C(C=CC=C2Cl)F)N3CCO[C@@H](C3)C

DOS

IR

Vibrations