Geometry & MOs

Info

ID:	78268
PubChem CID:	49684240
Reduced:	SN2F3O3C20H25 (1)
Stoich.:	AB2C3D3E20F25 (1)
Weight, g/mol:	430.088469
ΔH_f, kcal/mol:	-247.87
Dipole, Da:	4.26
IP(EA), eV:	-8.63(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dichloro-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(=C3)C(F)(F)F

DOS

IR

Vibrations