Geometry & MOs

Info

ID:	346800
PubChem CID:	127271304
Reduced:	SN2O3C17H28 (1)
Stoich.:	AB2C3D17E28 (1)
Weight, g/mol:	366.124943
ΔH_f, kcal/mol:	-140.65
Dipole, Da:	6.96
IP(EA), eV:	-9.13(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1,4-benzodioxin-6-yl-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CC2CC1CC2CC(=O)N3CCN(CC3)C4CCS(=O)(=O)C4

DOS

IR

Vibrations