Geometry & MOs

Info

ID:	57680
PubChem CID:	22432418
Reduced:	ClSO3N5C15H16 (1)
Stoich.:	ABC3D5E15F16 (1)
Weight, g/mol:	534.285558
ΔH_f, kcal/mol:	-38.87
Dipole, Da:	8.32
IP(EA), eV:	-9.26(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)benzamide

Drug info:

PubChemData

Smile

CCCC1=NC2=NC(=C(C(=O)N2N1)NS(=O)(=O)C3=CC=C(C=C3)Cl)C

DOS

IR

Vibrations