Geometry & MOs

Info

ID:	78250
PubChem CID:	49684217
Reduced:	SN2O3C23H28 (1)
Stoich.:	AB2C3D23E28 (1)
Weight, g/mol:	412.182064
ΔH_f, kcal/mol:	-69.43
Dipole, Da:	5.28
IP(EA), eV:	-8.63(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)CN2CCC(CC2)CNS(=O)(=O)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations