Geometry & MOs

Info

ID:	126612
PubChem CID:	50970186
Reduced:	N2S2O4C15H22 (1)
Stoich.:	A2B2C4D15E22 (1)
Weight, g/mol:	340.118985
ΔH_f, kcal/mol:	-162.24
Dipole, Da:	2.63
IP(EA), eV:	-8.75(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]acetamide

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCOC(C1)CNC(=O)C2=C3CCCCC3=CS2

DOS

IR

Vibrations