Geometry & MOs

Info

ID:	78249
PubChem CID:	49684216
Reduced:	ClSN2O3C20H27 (1)
Stoich.:	ABC2D3E20F27 (1)
Weight, g/mol:	412.182064
ΔH_f, kcal/mol:	-101.79
Dipole, Da:	3.03
IP(EA), eV:	-8.64(-0.36)
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-2-sulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)CN2CCC(CC2)CNS(=O)(=O)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations