Geometry & MOs

Info

ID:	78235
PubChem CID:	49684195
Reduced:	SN2O4C21H28 (1)
Stoich.:	AB2C4D21E28 (1)
Weight, g/mol:	404.176979
ΔH_f, kcal/mol:	-124.58
Dipole, Da:	2.84
IP(EA), eV:	-8.59(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-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=C(C=C3)C(=O)C

DOS

IR

Vibrations