Geometry & MOs

Info

ID:	358644
PubChem CID:	127296423
Reduced:	S2N3O4C17H25 (1)
Stoich.:	A2B3C4D17E25 (1)
Weight, g/mol:	267.056529
ΔH_f, kcal/mol:	-128.36
Dipole, Da:	5.18
IP(EA), eV:	-8.58(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-benzodioxol-4-yl-(1-oxo-1,4-thiazinan-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)N3CCS(=O)CC3

DOS

IR

Vibrations