Geometry & MOs

Info

ID:	346801
PubChem CID:	127271305
Reduced:	SN2O5C17H22 (1)
Stoich.:	AB2C5D17E22 (1)
Weight, g/mol:	380.140593
ΔH_f, kcal/mol:	-174.18
Dipole, Da:	8.82
IP(EA), eV:	-9.08(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CC1N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations