Geometry & MOs

Info

ID:	189937
PubChem CID:	77925983
Reduced:	O2N6C23H31 (1)
Stoich.:	A2B6C23D31 (1)
Weight, g/mol:	296.135863
ΔH_f, kcal/mol:	43.82
Dipole, Da:	5.48
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.099289
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-fluoro-2-methyl-1H-indol-5-yl)ethyl]-2-methylpropane-2-sulfinamide

Drug info:

PubChemData

Smile

CO[N+]1=CC=CC(=C1)CNC2=CC(=NC3=C(C=NN23)C4CC4)NC5CCCCC5CO

DOS

IR

Vibrations