Geometry & MOs

Info

ID:	50171
PubChem CID:	12012679
Reduced:	SO2N3H7C10 (1)
Stoich.:	AB2C3D7E10 (1)
Weight, g/mol:	247.077933
ΔH_f, kcal/mol:	-1.02
Dipole, Da:	3.8
IP(EA), eV:	-8.99(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5-dimethyl-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzothiazin-2-one

Drug info:

PubChemData

Smile

C1C(=O)NN=C2N1C3=CC=CC=C3SC2=O

DOS

IR

Vibrations