Geometry & MOs

Info

ID:

162858

PubChem CID:

57578124

Reduced:

NS2C56H59 (1)

Stoich.:

AB2C56D59 (1)

Weight, g/mol:

1020.42058

ΔHf, kcal/mol:

100.2

Dipole, Da:

1.19

IP(EA), eV:

 -7.82(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-3-[5-[7-[4-[bis(9,9-dibutylfluoren-2-yl)amino]phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-cyanoprop-2-enoic acid

Drug info:

PubChemData

Smile

CCCCC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)C5=CC=C(S5)C6=CC=CS6)C7=CC8=C(C=C7)C9=CC=CC=C9C8(CCCC)CCCC)CCCC

DOS

IR

Vibrations