Geometry & MOs

Info

ID:	23538
PubChem CID:	604395
Reduced:	ISO3C8H11 (1)
Stoich.:	ABC3D8E11 (1)
Weight, g/mol:	313.94736
ΔH_f, kcal/mol:	-112.81
Dipole, Da:	3.08
IP(EA), eV:	-9.98(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-iodo-2-oxa-7lambda6-thiatricyclo[4.3.1.03,8]decane 7,7-dioxide

Drug info:

PubChemData

Smile

C1CC2C(C3CC(C1O3)S2(=O)=O)I

DOS

IR

Vibrations