Geometry & MOs

Info

ID:	25298
PubChem CID:	622288
Reduced:	SO3C5H5 (1)
Stoich.:	AB3C5D5 (1)
Weight, g/mol:	266.069142
ΔH_f, kcal/mol:	-69.75
Dipole, Da:	4.91
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.817346
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-4,7,9(16),10,12,14-hexaene-2,3-dione

Drug info:

PubChemData

Smile

[CH-]1[CH-][CH-][C-]([CH-]1)S(=O)(=O)O

DOS

IR

Vibrations