Geometry & MOs

Info

ID:	64332
PubChem CID:	29199172
Reduced:	SF2O2N6H20C21 (1)
Stoich.:	AB2C2D6E20F21 (1)
Weight, g/mol:	412.193297
ΔH_f, kcal/mol:	-68.83
Dipole, Da:	8.85
IP(EA), eV:	-8.93(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-(1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCN1C(=NC2=C1C=CC(=C2)C(=O)NNC(=O)CN3C4=CC=CC=C4N=C3SC(F)F)C

DOS

IR

Vibrations