Geometry & MOs

Info

ID:	153867
PubChem CID:	56313198
Reduced:	F3N3O4H20C22 (1)
Stoich.:	A3B3C4D20E22 (1)
Weight, g/mol:	411.101955
ΔH_f, kcal/mol:	-227.6
Dipole, Da:	4.51
IP(EA), eV:	-8.89(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)NNC(=O)C2=NC3=CC=CC=C3C=C2)OCC(F)(F)F

DOS

IR

Vibrations