Geometry & MOs

Info

ID:	64364
PubChem CID:	29199336
Reduced:	FSO2N4C22H27 (1)
Stoich.:	ABC2D4E22F27 (1)
Weight, g/mol:	440.224597
ΔH_f, kcal/mol:	-60.42
Dipole, Da:	7.74
IP(EA), eV:	-8.58(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)S(=O)(=O)NC[C@@H](C2=CNC3=CC=CC=C32)N4CCN(CC4)C

DOS

IR

Vibrations