Geometry & MOs

Info

ID:	25245
PubChem CID:	621470
Reduced:	NO2S2H25C26 (1)
Stoich.:	AB2C2D25E26 (1)
Weight, g/mol:	262.10659
ΔH_f, kcal/mol:	14.66
Dipole, Da:	6.87
IP(EA), eV:	-8.41(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-dioxidospiro[4,5-dihydroimidazo[4,5-g][2,1,3]benzoxadiazole-3,6-diium-7,1'-cyclohexane]

Drug info:

PubChemData

Smile

CC1=C(CS(=NS(=O)(=O)C2=CC=C(C=C2)C)C3(C1)C4=CC=CC=C4C5=CC=CC=C35)C

DOS

IR

Vibrations