Geometry & MOs

Info

ID:	337151
PubChem CID:	127256716
Reduced:	BrSC9H17 (1)
Stoich.:	ABC9D17 (1)
Weight, g/mol:	157.105097
ΔH_f, kcal/mol:	-28.72
Dipole, Da:	11.1
IP(EA), eV:	-7.76(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC[S+]2CCCCC2C1.[Br-]

DOS

IR

Vibrations