Geometry & MOs

Info

ID:	78251
PubChem CID:	49684218
Reduced:	SN2O3C23H28 (1)
Stoich.:	AB2C3D23E28 (1)
Weight, g/mol:	414.11802
ΔH_f, kcal/mol:	-68.53
Dipole, Da:	5.04
IP(EA), eV:	-8.61(-1.08)
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]-4-fluorobenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)CN2CCC(CC2)CNS(=O)(=O)C3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations