Geometry & MOs

Info

ID:	358625
PubChem CID:	127296404
Reduced:	FNSO4C14H16 (1)
Stoich.:	ABCD4E14F16 (1)
Weight, g/mol:	241.077265
ΔH_f, kcal/mol:	-179.39
Dipole, Da:	5.71
IP(EA), eV:	-8.57(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CS(=O)CCN1C(=O)CC2=CC(=CC3=C2OCOC3)F

DOS

IR

Vibrations