Geometry & MOs

Info

ID:	71247
PubChem CID:	48414517
Reduced:	SO2N3C17H23 (1)
Stoich.:	AB2C3D17E23 (1)
Weight, g/mol:	355.169605
ΔH_f, kcal/mol:	-18.74
Dipole, Da:	2.61
IP(EA), eV:	-8.8(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-but-3-ynylpiperazin-1-yl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(=O)NC(CC(=O)N1CCN(CC1)CCC#C)C2=CC=CS2

DOS

IR

Vibrations