Geometry & MOs

Info

ID:

47452

PubChem CID:

10532841

Reduced:

NSiO4C18H33 (2)

Stoich.:

ABC4D18E33 (2)

Weight, g/mol:

712.03591

ΔHf, kcal/mol:

-532.47

Dipole, Da:

4.22

IP(EA), eV:

 -8.75(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-bromo-2-[5-[5-(5-bromo-3-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-3-octylthiophene

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1[C@@H](CC[C@H]1[C@@H]2C=CC(=O)O2)[C@H]3CC[C@@H](N3C(=O)OC(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations