Geometry & MOs

Info

ID:	242870
PubChem CID:	99213517
Reduced:	ClO2N3C20H22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	425.140927
ΔH_f, kcal/mol:	-23.03
Dipole, Da:	2.53
IP(EA), eV:	-8.62(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-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=NC=C(C=C3)Cl

DOS

IR

Vibrations