Geometry & MOs

Info

ID:	8490
PubChem CID:	78385
Reduced:	SO3C8H8 (1)
Stoich.:	AB3C8D8 (1)
Weight, g/mol:	184.019415
ΔH_f, kcal/mol:	-102.18
Dipole, Da:	7.44
IP(EA), eV:	-9.85(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-4-thiophen-2-ylbutanoic acid

Drug info:

PubChemData

Smile

C1=CSC(=C1)C(=O)CCC(=O)O

DOS

IR

Vibrations