Geometry & MOs

Info

ID:	352455
PubChem CID:	127283543
Reduced:	NSO2C12H21 (1)
Stoich.:	ABC2D12E21 (1)
Weight, g/mol:	243.038771
ΔH_f, kcal/mol:	-100.21
Dipole, Da:	3.91
IP(EA), eV:	-8.58(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methylthiophen-2-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(=O)N2CCS(=O)CC2

DOS

IR

Vibrations