Geometry & MOs

Info

ID:	352452
PubChem CID:	127283540
Reduced:	S2N3O5C12H19 (1)
Stoich.:	A2B3C5D12E19 (1)
Weight, g/mol:	297.085721
ΔH_f, kcal/mol:	-156.2
Dipole, Da:	5.02
IP(EA), eV:	-8.42(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)S(=O)(=O)N[C@@H](C)C(=O)N2CCS(=O)CC2

DOS

IR

Vibrations