Geometry & MOs

Info

ID:	78276
PubChem CID:	49684251
Reduced:	SN2F3O4C20H25 (1)
Stoich.:	AB2C3D4E20F25 (1)
Weight, g/mol:	446.03335
ΔH_f, kcal/mol:	-289.11
Dipole, Da:	3.51
IP(EA), eV:	-8.68(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations