Geometry & MOs

Info

ID:	156740
PubChem CID:	56374026
Reduced:	SO4N6H18C19 (1)
Stoich.:	AB4C6D18E19 (1)
Weight, g/mol:	452.152969
ΔH_f, kcal/mol:	12.64
Dipole, Da:	6.72
IP(EA), eV:	-8.89(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-4-methoxy-3-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC(=CO2)CCNS(=O)(=O)C3=CC=CC(=C3)N4C=NN=N4

DOS

IR

Vibrations