Geometry & MOs

Info

ID:	268832
PubChem CID:	103601168
Reduced:	ClSO2C11H13 (1)
Stoich.:	ABC2D11E13 (1)
Weight, g/mol:	240.082016
ΔH_f, kcal/mol:	-86.37
Dipole, Da:	3.99
IP(EA), eV:	-9.27(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CSCCCC(=O)O)Cl

DOS

IR

Vibrations