Geometry & MOs

Info

ID:	151695
PubChem CID:	56269517
Reduced:	Cl2O2F3N5C20H24 (1)
Stoich.:	A2B2C3D5E20F24 (1)
Weight, g/mol:	426.112854
ΔH_f, kcal/mol:	-184.32
Dipole, Da:	10.86
IP(EA), eV:	-8.92(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide

Drug info:

PubChemData

Smile

CCC1=NC(=NN1C2=C(C=CC=C2Cl)Cl)C(=O)N3CCN(CC3)CCCOCC(F)(F)F

DOS

IR

Vibrations