Geometry & MOs

Info

ID:	140405
PubChem CID:	52692329
Reduced:	SN3O4C24H31 (1)
Stoich.:	AB3C4D24E31 (1)
Weight, g/mol:	391.213401
ΔH_f, kcal/mol:	-115.13
Dipole, Da:	6.63
IP(EA), eV:	-9.37(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(2-methyl-1H-indol-3-yl)-N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-oxoacetamide

Drug info:

PubChemData

Smile

CCCC[C@H](C(=O)NCCCOCCC1=CC=CC=C1)NC2=NS(=O)(=O)C3=CC=CC=C32

DOS

IR

Vibrations