Geometry & MOs

Info

ID:	64401
PubChem CID:	29199532
Reduced:	NOC9H9 (2)
Stoich.:	ABC9D9 (2)
Weight, g/mol:	430.183875
ΔH_f, kcal/mol:	-35.74
Dipole, Da:	6.81
IP(EA), eV:	-8.82(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1)C(=O)C2=CC(=CC=C2)N3CCCC3=O

DOS

IR

Vibrations