Geometry & MOs

Info

ID:	390001
PubChem CID:	134996512
Reduced:	O3C12H14 (1)
Stoich.:	A3B12C14 (1)
Weight, g/mol:	190.048607
ΔH_f, kcal/mol:	-119.98
Dipole, Da:	5.72
IP(EA), eV:	-10.07(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethyl-2-propan-2-ylidene-1,3-dithiolane 1-oxide

Drug info:

PubChemData

Smile

C=C1C[C@@H]2C[C@@H]3[C@@]1(C(=O)CCC3)C(=O)O2

DOS

IR

Vibrations