Geometry & MOs

Info

ID:	136717
PubChem CID:	52089076
Reduced:	BrFSN2O5H20C21 (1)
Stoich.:	ABCD2E5F20G21 (1)
Weight, g/mol:	408.184921
ΔH_f, kcal/mol:	-165.55
Dipole, Da:	7.39
IP(EA), eV:	-9.27(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)C[C@H]1N(CC2=CC=C(O2)Br)C(=O)CCC3=NC=C(O3)C4=CC=C(C=C4)F

DOS

IR

Vibrations