Geometry & MOs

Info

ID:	78245
PubChem CID:	49684210
Reduced:	FSN2O4C20H27 (1)
Stoich.:	ABC2D4E20F27 (1)
Weight, g/mol:	410.143092
ΔH_f, kcal/mol:	-170.94
Dipole, Da:	5.99
IP(EA), eV:	-8.62(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations