Geometry & MOs

Info

ID:	175423
PubChem CID:	75902844
Reduced:	SN3O4C18H31 (1)
Stoich.:	AB3C4D18E31 (1)
Weight, g/mol:	417.184804
ΔH_f, kcal/mol:	-166.73
Dipole, Da:	6.8
IP(EA), eV:	-8.58(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[2-(2-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide

Drug info:

PubChemData

Smile

CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N(CC)CC)NC(=O)C(C)OC

DOS

IR

Vibrations