Geometry & MOs

Info

ID:	64322
PubChem CID:	29199090
Reduced:	SF2O2N4H18C19 (1)
Stoich.:	AB2C2D4E18F19 (1)
Weight, g/mol:	440.224597
ΔH_f, kcal/mol:	-90.44
Dipole, Da:	7.02
IP(EA), eV:	-9.04(-1.03)
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]-4-propylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCN1C(=NC2=C1C=CC(=C2)C(=O)NNC(=O)CSC3=CC(=C(C=C3)F)F)C

DOS

IR

Vibrations