Geometry & MOs

Info

ID:	64092
PubChem CID:	29196097
Reduced:	FSN4O5C20H23 (1)
Stoich.:	ABC4D5E20F23 (1)
Weight, g/mol:	470.082697
ΔH_f, kcal/mol:	-131.48
Dipole, Da:	7.72
IP(EA), eV:	-9.11(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-5-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCCN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations