Geometry & MOs

Info

ID:	35363
PubChem CID:	7979765
Reduced:	ClFN2O4H12C15 (1)
Stoich.:	ABC2D4E12F15 (1)
Weight, g/mol:	402.161329
ΔH_f, kcal/mol:	-96.2
Dipole, Da:	3.09
IP(EA), eV:	-9.04(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethylphenoxy)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)COC2=C(C=C(C=C2)Cl)[N+](=O)[O-])F

DOS

IR

Vibrations