Geometry & MOs

Info

ID:	56585
PubChem CID:	17436449
Reduced:	O3N4C21H24 (1)
Stoich.:	A3B4C21D24 (1)
Weight, g/mol:	355.120192
ΔH_f, kcal/mol:	-71.93
Dipole, Da:	3.78
IP(EA), eV:	-8.65(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-ethylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N(C1=O)CCC(=O)NC3=CC=CC=C3N4CCOCC4

DOS

IR

Vibrations