Geometry & MOs

Info

ID:	242871
PubChem CID:	99213519
Reduced:	SN3O4C22H23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	425.140927
ΔH_f, kcal/mol:	-65.41
Dipole, Da:	4.77
IP(EA), eV:	-9.07(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-ethylacetamide

Drug info:

PubChemData

Smile

CCN([C@@H](C)C1=CC2=CC=CC=C2O1)C(=O)CN(C)C3=NS(=O)(=O)C4=CC=CC=C43

DOS

IR

Vibrations