Geometry & MOs

Info

ID:	197754
PubChem CID:	78991867
Reduced:	SO5C11H20 (1)
Stoich.:	AB5C11D20 (1)
Weight, g/mol:	272.083078
ΔH_f, kcal/mol:	-238.11
Dipole, Da:	6.97
IP(EA), eV:	-10.34(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-ethylpyrazol-4-yl)methyl]-1,1-dioxothiolane-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCCOCCC1(CCS(=O)(=O)C1)C(=O)O

DOS

IR

Vibrations