Geometry & MOs

Info

ID:	355796
PubChem CID:	127290648
Reduced:	SO2N5C18H21 (1)
Stoich.:	AB2C5D18E21 (1)
Weight, g/mol:	378.136176
ΔH_f, kcal/mol:	6.74
Dipole, Da:	3.0
IP(EA), eV:	-8.91(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-4-[(1-methylimidazol-2-yl)methyl]piperazine

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

DOS

IR

Vibrations