Geometry & MOs

Info

ID:	26813
PubChem CID:	798667
Reduced:	N2S2O4C13H14 (1)
Stoich.:	A2B2C4D13E14 (1)
Weight, g/mol:	262.131742
ΔH_f, kcal/mol:	-111.63
Dipole, Da:	3.26
IP(EA), eV:	-9.59(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-benzodioxol-5-yl-(4-ethylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CS(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N

DOS

IR

Vibrations