Geometry & MOs

Info

ID:	125892
PubChem CID:	50942544
Reduced:	NPF5O5C19H25 (1)
Stoich.:	ABC5D5E19F25 (1)
Weight, g/mol:	411.198048
ΔH_f, kcal/mol:	-506.09
Dipole, Da:	7.06
IP(EA), eV:	-9.11(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-3-(4-methylpiperazin-1-yl)-1-(4-propan-2-ylphenyl)sulfonylindole

Drug info:

PubChemData

Smile

CCN(CC)C1=CC2=C(C=C1)C(C(=C(O2)C(C(F)(F)F)(F)F)P(=O)(OCC)OCC)O

DOS

IR

Vibrations