Geometry & MOs

Info

ID:	358606
PubChem CID:	127296365
Reduced:	NSO2C13H23 (1)
Stoich.:	ABC2D13E23 (1)
Weight, g/mol:	291.067762
ΔH_f, kcal/mol:	-106.48
Dipole, Da:	3.98
IP(EA), eV:	-8.6(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-oxo-1,4-thiazinan-4-yl)-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1CCCC(C1)CC(=O)N2CCS(=O)CC2

DOS

IR

Vibrations