Geometry & MOs

Info

ID:	175424
PubChem CID:	75903547
Reduced:	SN2O4C22H29 (1)
Stoich.:	AB2C4D22E29 (1)
Weight, g/mol:	416.176979
ΔH_f, kcal/mol:	-101.89
Dipole, Da:	3.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.037335
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(CNS(=O)(=O)C2=CC3=C(C=C2)OCC3)[NH+]4CCCCC4

DOS

IR

Vibrations