Geometry & MOs

Info

ID:	352448
PubChem CID:	127283536
Reduced:	NO2S2C12H15 (1)
Stoich.:	AB2C2D12E15 (1)
Weight, g/mol:	279.092915
ΔH_f, kcal/mol:	-45.21
Dipole, Da:	5.17
IP(EA), eV:	-8.54(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dihydro-2H-chromen-3-yl-(1-oxo-1,4-thiazinan-4-yl)methanone

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC(=C2)C(=O)N3CCS(=O)CC3

DOS

IR

Vibrations