Geometry & MOs

Info

ID:	304060
PubChem CID:	124491839
Reduced:	ON2C8H12 (1)
Stoich.:	AB2C8D12 (1)
Weight, g/mol:	275.061614
ΔH_f, kcal/mol:	-24.02
Dipole, Da:	2.22
IP(EA), eV:	-8.56(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,8-dimethoxy-2-methyl-4H-benzo[e][1,3]benzothiazol-5-one

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)N=C(O2)N

DOS

IR

Vibrations