Geometry & MOs

Info

ID:	65326
PubChem CID:	29214663
Reduced:	FSO2N5C24H28 (1)
Stoich.:	ABC2D5E24F28 (1)
Weight, g/mol:	332.129156
ΔH_f, kcal/mol:	-57.32
Dipole, Da:	3.93
IP(EA), eV:	-8.46(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-3-(4-chlorophenyl)piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone

Drug info:

PubChemData

Smile

CCCCNC(=S)N(C)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations