Geometry & MOs

Info

ID:	189943
PubChem CID:	77927873
Reduced:	OSN7C8H9 (1)
Stoich.:	ABC7D8E9 (1)
Weight, g/mol:	347.130363
ΔH_f, kcal/mol:	80.05
Dipole, Da:	3.09
IP(EA), eV:	-8.43(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)-4-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CN1C(=O)N2C=NC(=C2NN1)C3=NC(=CS3)N

DOS

IR

Vibrations