Geometry & MOs

Info

ID:	337150
PubChem CID:	127256715
Reduced:	H5O6C7 (2)
Stoich.:	A5B6C7 (2)
Weight, g/mol:	236.02343
ΔH_f, kcal/mol:	-469.64
Dipole, Da:	3.97
IP(EA), eV:	-10.61(-2.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,4,6,7,8,9,9a-octahydro-1H-thiopyrano[1,2-a]thiopyran-5-ium;bromide

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C(=C(C(=C1C(=O)O)C(=O)O)OC(=O)C)C(=O)O)C(=O)O

DOS

IR

Vibrations