Geometry & MOs

Info

ID:

395940

PubChem CID:

135026996

Reduced:

SiO7C26H40 (1)

Stoich.:

AB7C26D40 (1)

Weight, g/mol:

1085.433211

ΔHf, kcal/mol:

-370.6

Dipole, Da:

3.25

IP(EA), eV:

 -8.69(0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-[2,5-bis(2-ethylhexyl)-1-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]-3,6-dioxopyrrolo[3,4-c]pyrrol-4-yl]thiophen-2-yl]-3-(4-methoxyphenyl)buta-1,3-diene-1,1,4,4-tetracarbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OCCCC[C@H]1COC(=O)[C@@]1(CCC(=O)OC)C(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations