Geometry & MOs

Info

ID:	263176
PubChem CID:	103343555
Reduced:	NS2O6C12H21 (1)
Stoich.:	AB2C6D12E21 (1)
Weight, g/mol:	180.078644
ΔH_f, kcal/mol:	-274.63
Dipole, Da:	8.8
IP(EA), eV:	-10.24(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-3-but-2-ynyloxolan-2-one

Drug info:

PubChemData

Smile

CC1CS(=O)(=O)CCN1S(=O)(=O)C2CCCC2C(=O)OC

DOS

IR

Vibrations