Geometry & MOs

Info

ID:	341711
PubChem CID:	127264404
Reduced:	BrNOSCl2C19H19 (2)
Stoich.:	ABCDE2F19G19 (2)
Weight, g/mol:	227.955101
ΔH_f, kcal/mol:	-31.69
Dipole, Da:	2.77
IP(EA), eV:	-8.81(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

thieno[3,2-b]thiophene-3,6-dicarboxylic acid

Drug info:

PubChemData

Smile

CCCCCCCCN1C(=C2C(=C(N(C2=O)CCCCCCCC)C3=CC4=C(C(=CS4)Cl)C(=C3Cl)Br)C1=O)C5=CC6=C(C(=CS6)Cl)C(=C5Cl)Br

DOS

IR

Vibrations