Geometry & MOs

Info

ID:	128905
PubChem CID:	51063076
Reduced:	ClNS2O4C13H20 (1)
Stoich.:	ABC2D4E13F20 (1)
Weight, g/mol:	254.103717
ΔH_f, kcal/mol:	12.25
Dipole, Da:	14.98
IP(EA), eV:	-9.44(-2.72)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-tert-butyl-4-methylsulfanyl-5,6,7,8-tetrahydro-1,3-benzothiazin-1-ium

Drug info:

PubChemData

Smile

CC(C)(C)C1=[S+]C2=C(CCCC2)C(=N1)SC.[O-]Cl(=O)(=O)=O

DOS

IR

Vibrations