Geometry & MOs

Info

ID:	297609
PubChem CID:	117623716
Reduced:	BrNO4C15H18 (1)
Stoich.:	ABC4D15E18 (1)
Weight, g/mol:	774.338114
ΔH_f, kcal/mol:	-135.24
Dipole, Da:	3.4
IP(EA), eV:	-10.03(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-tert-butyl-4,8-bis(2-ethylhexoxy)thieno[2,3-f][1]benzothiol-6-yl]-7-(5-tert-butylthiophen-2-yl)-2,1,3-benzothiadiazole

Drug info:

PubChemData

Smile

COC(=O)C(CCCBr)(C#N)C1=CC(=C(C=C1)CO)CO

DOS

IR

Vibrations