Geometry & MOs

Info

ID:

318866

PubChem CID:

126653589

Reduced:

NSBr2O3C17H23 (1)

Stoich.:

ABC2D3E17F23 (1)

Weight, g/mol:

1425.528518

ΔHf, kcal/mol:

-98.34

Dipole, Da:

1.52

IP(EA), eV:

 -9.71(-1.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[5-[2-[2,6-bis[5-(2-hexyldecyl)thiophen-2-yl]-8-(5-methyl-1,3-thiazol-2-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazol-4-yl]-1,3-thiazol-5-yl]thiophen-2-yl]-5-(2-ethylhexyl)-1-(5-methylthiophen-2-yl)thieno[3,4-c]pyrrole-4,6-dione

Drug info:

PubChemData

Smile

CCCCC(CC)COCCCN1C(=O)C2=C(SC(=C2C1=O)Br)Br

DOS

IR

Vibrations