Geometry & MOs

Info

ID:	64365
PubChem CID:	29199342
Reduced:	SO2N4C24H32 (1)
Stoich.:	AB2C4D24E32 (1)
Weight, g/mol:	440.224597
ΔH_f, kcal/mol:	-28.71
Dipole, Da:	5.37
IP(EA), eV:	-8.16(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-(1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-ylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)S(=O)(=O)NC[C@H](C2=CNC3=CC=CC=C32)N4CCN(CC4)C

DOS

IR

Vibrations