Geometry & MOs

Info

ID:	64189
PubChem CID:	29198072
Reduced:	SO2N3C17H25 (1)
Stoich.:	AB2C3D17E25 (1)
Weight, g/mol:	435.118354
ΔH_f, kcal/mol:	-56.72
Dipole, Da:	4.66
IP(EA), eV:	-8.48(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCS(=O)(=O)NC[C@@H](C1=CNC2=CC=CC=C21)N3CCCCC3

DOS

IR

Vibrations