Geometry & MOs

Info

ID:	352453
PubChem CID:	127283541
Reduced:	NO2S2C14H19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	227.061614
ΔH_f, kcal/mol:	-64.72
Dipole, Da:	5.59
IP(EA), eV:	-8.57(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)C=C(S2)C(=O)N3CCS(=O)CC3

DOS

IR

Vibrations