Geometry & MOs

Info

ID:	28306
PubChem CID:	826950
Reduced:	NSO5C16H17 (1)
Stoich.:	ABC5D16E17 (1)
Weight, g/mol:	219.010248
ΔH_f, kcal/mol:	-149.11
Dipole, Da:	7.46
IP(EA), eV:	-8.62(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2H-[1,2,4]triazino[3,4-b][1,3]benzothiazole-3,4-dione

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C=C(SC2=O)C(=O)N3CCOCC3)OC

DOS

IR

Vibrations