Geometry & MOs

Info

ID:	352901
PubChem CID:	127283991
Reduced:	N2S2O5C15H20 (1)
Stoich.:	A2B2C5D15E20 (1)
Weight, g/mol:	297.085721
ΔH_f, kcal/mol:	-161.36
Dipole, Da:	6.59
IP(EA), eV:	-8.77(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone

Drug info:

PubChemData

Smile

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCS(=O)CC3

DOS

IR

Vibrations