Geometry & MOs

Info

ID:	64201
PubChem CID:	29198255
Reduced:	SO2N3C18H27 (1)
Stoich.:	AB2C3D18E27 (1)
Weight, g/mol:	415.172976
ΔH_f, kcal/mol:	-51.14
Dipole, Da:	2.71
IP(EA), eV:	-8.44(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[(2S)-2-(1H-indol-3-yl)-2-piperidin-1-ylethyl]-3-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)S(=O)(=O)[N-]C[C@H](C1=CNC2=CC=CC=C21)[NH+]3CCCCC3

DOS

IR

Vibrations