Geometry & MOs

Info

ID:	64085
PubChem CID:	29196065
Reduced:	ClON3C20H24 (1)
Stoich.:	ABC3D20E24 (1)
Weight, g/mol:	427.117747
ΔH_f, kcal/mol:	-0.03
Dipole, Da:	5.54
IP(EA), eV:	-9.12(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-difluoro-N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1/C=C/C(=O)N2CCC3=CC=CC=C3C2)Cl)CC(C)C

DOS

IR

Vibrations