Geometry & MOs

Info

ID:	352456
PubChem CID:	127283544
Reduced:	NO2S2C10H13 (1)
Stoich.:	AB2C2D10E13 (1)
Weight, g/mol:	243.038771
ΔH_f, kcal/mol:	-48.72
Dipole, Da:	4.85
IP(EA), eV:	-8.54(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C(=O)N2CCS(=O)CC2

DOS

IR

Vibrations