Geometry & MOs

Info

ID:	215901
PubChem CID:	85085410
Reduced:	O5C8H12 (1)
Stoich.:	A5B8C12 (1)
Weight, g/mol:	188.050715
ΔH_f, kcal/mol:	-228.2
Dipole, Da:	7.12
IP(EA), eV:	-11.01(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-oxa-3lambda6-thiatricyclo[5.3.0.02,6]decane 3,3-dioxide

Drug info:

PubChemData

Smile

C1C(CC(C1C(=O)O)C(=O)O)CO

DOS

IR

Vibrations