Geometry & MOs

Info

ID:

327157

PubChem CID:

126689119

Reduced:

SF4O4N7C40H43 (1)

Stoich.:

AB4C4D7E40F43 (1)

Weight, g/mol:

907.84974

ΔHf, kcal/mol:

-219.34

Dipole, Da:

6.32

IP(EA), eV:

 -8.64(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6Z)-3-bromo-6-[3-bromo-4-(2-ethylhexyl)-2-iodo-5-oxothieno[3,2-b]pyrrol-6-ylidene]-4-(2-ethylhexyl)-2-iodothieno[3,2-b]pyrrol-5-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)/N=C(\C1=CC(=CC=C1)N2C(=CC(=N2)C(F)(F)F)C(=O)NC3=C(C=CC(=C3)C(CCC4CC4)(C5=CC=CC(=C5)C#N)N[S@](=O)C(C)(C)C)F)/N

DOS

IR

Vibrations