Geometry & MOs

Info

ID:	78228
PubChem CID:	49684187
Reduced:	ClSN2O3C19H25 (1)
Stoich.:	ABC2D3E19F25 (1)
Weight, g/mol:	396.127441
ΔH_f, kcal/mol:	-93.66
Dipole, Da:	5.53
IP(EA), eV:	-8.42(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)CN2CCC(CC2)CNS(=O)(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations