Geometry & MOs

Info

ID:	318463
PubChem CID:	126651441
Reduced:	O2C11H16 (2)
Stoich.:	A2B11C16 (2)
Weight, g/mol:	394.94968
ΔH_f, kcal/mol:	-140.15
Dipole, Da:	6.54
IP(EA), eV:	-8.59(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-bromo-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)-2-methyl-2-methylsulfonylbutanoic acid

Drug info:

PubChemData

Smile

CCCCC[C@@H](CC/C=C/C=C/C(=C/C=C\C/C=C\C=CC(=O)O)O)O

DOS

IR

Vibrations