Geometry & MOs

Info

ID:	59212
PubChem CID:	24775754
Reduced:	F2O3N4C28H28 (1)
Stoich.:	A2B3C4D28E28 (1)
Weight, g/mol:	413.177313
ΔH_f, kcal/mol:	-46.02
Dipole, Da:	7.43
IP(EA), eV:	-8.97(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(benzenesulfonyl)-4-(piperazin-1-ylmethyl)-5-propan-2-yloxyindole

Drug info:

PubChemData

Smile

C1CC[N+](CC1)(C2=CC=CC(=C2)C3=NN4C(=CC=NC4=C3)C5=CC(=C(C=C5)OC(F)F)OCC6CC6)[O-]

DOS

IR

Vibrations