Geometry & MOs

Info

ID:	358619
PubChem CID:	127296398
Reduced:	SO2N4C16H20 (1)
Stoich.:	AB2C4D16E20 (1)
Weight, g/mol:	281.072179
ΔH_f, kcal/mol:	-8.9
Dipole, Da:	7.35
IP(EA), eV:	-8.46(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-yl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=C(N=N2)CC(=O)N3CCS(=O)CC3)C

DOS

IR

Vibrations