Geometry & MOs

Info

ID:	344928
PubChem CID:	127268688
Reduced:	ClSN3O4C17H18 (1)
Stoich.:	ABC3D4E17F18 (1)
Weight, g/mol:	394.065714
ΔH_f, kcal/mol:	-88.77
Dipole, Da:	5.59
IP(EA), eV:	-8.57(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)piperazin-1-yl]-thiophen-3-ylmethanone

Drug info:

PubChemData

Smile

C1CN(CCN1C2=C(C=CC=N2)Cl)S(=O)(=O)C3=CC=CC4=C3OCCO4

DOS

IR

Vibrations