Geometry & MOs

Info

ID:	344748
PubChem CID:	127268336
Reduced:	SN3O4C20H21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	374.130028
ΔH_f, kcal/mol:	-65.69
Dipole, Da:	6.38
IP(EA), eV:	-9.06(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-4-(2-methylphenyl)piperazine

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC=CC4=C3OCCO4

DOS

IR

Vibrations