Geometry & MOs

Info

ID:	352459
PubChem CID:	127283547
Reduced:	N2S3O4C15H22 (1)
Stoich.:	A2B3C4D15E22 (1)
Weight, g/mol:	337.098394
ΔH_f, kcal/mol:	-134.54
Dipole, Da:	3.27
IP(EA), eV:	-8.86(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1-oxo-1,4-thiazinan-4-yl)butane-1,4-dione

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)CC(=O)N3CCS(=O)CC3

DOS

IR

Vibrations