Geometry & MOs

Info

ID:	376456
PubChem CID:	134222470
Reduced:	O2C13H20 (1)
Stoich.:	A2B13C20 (1)
Weight, g/mol:	206.007137
ΔH_f, kcal/mol:	-115.44
Dipole, Da:	2.21
IP(EA), eV:	-10.71(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-oxa-5lambda6,8-dithiatricyclo[4.2.1.03,7]nonane 5,5-dioxide

Drug info:

PubChemData

Smile

CC1CCC2C1C3CC2C(C3)OC(=O)C

DOS

IR

Vibrations