Geometry & MOs

Info

ID:	68880
PubChem CID:	46511057
Reduced:	SN2O3H18C21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	384.150764
ΔH_f, kcal/mol:	-1.47
Dipole, Da:	7.74
IP(EA), eV:	-9.05(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone

Drug info:

PubChemData

Smile

C#CC1=CC(=CC=C1)NC(=O)CCNS(=O)(=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations