Geometry & MOs

Info

ID:	208443
PubChem CID:	80530978
Reduced:	BrClSO3C10H10 (1)
Stoich.:	ABCD3E10F10 (1)
Weight, g/mol:	295.89096
ΔH_f, kcal/mol:	-110.18
Dipole, Da:	3.6
IP(EA), eV:	-9.5(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-bromo-4-chlorothiophen-2-yl)-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)C1=CC(=C(S1)Br)Cl)CC(=O)O

DOS

IR

Vibrations