Geometry & MOs

Info

ID:	78253
PubChem CID:	49684220
Reduced:	SN2O3C23H32 (1)
Stoich.:	AB2C3D23E32 (1)
Weight, g/mol:	418.229014
ΔH_f, kcal/mol:	-106.54
Dipole, Da:	6.06
IP(EA), eV:	-8.63(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-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=CC4=C(CCCC4)C=C3

DOS

IR

Vibrations