Geometry & MOs

Info

ID:

162846

PubChem CID:

57578075

Reduced:

N2O4C57H58 (1)

Stoich.:

A2B4C57D58 (1)

Weight, g/mol:

904.409622

ΔHf, kcal/mol:

-40.78

Dipole, Da:

8.51

IP(EA), eV:

 -8.38(-1.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-3-[5-[5-[4-[bis(9,9-ditert-butylfluoren-2-yl)amino]phenyl]thiophen-2-yl]thiophen-2-yl]-2-cyanoprop-2-enoic acid

Drug info:

PubChemData

Smile

CCCCC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC5=C(C=C4)C6=CC=CC=C6C5(CCCC)CCCC)C7=CC8=C(C=C7)C=C(C(=O)O8)/C=C/C=C(/C#N)\C(=O)O)CCCC

DOS

IR

Vibrations