Geometry & MOs

Info

ID:

162865

PubChem CID:

57578142

Reduced:

NOSC53H57 (1)

Stoich.:

ABCD53E57 (1)

Weight, g/mol:

812.253121

ΔHf, kcal/mol:

46.4

Dipole, Da:

4.91

IP(EA), eV:

 -7.96(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-3-[5-[4-[5-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]thiophen-2-yl]phenyl]thiophen-2-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)C=O)C6=CC7=C(C=C6)C8=CC=CC=C8C7(CCCC)CCCC)CCCC

DOS

IR

Vibrations