Geometry & MOs

Info

ID:

162854

PubChem CID:

57578118

Reduced:

N3S3O4C59H63 (1)

Stoich.:

A3B3C4D59E63 (1)

Weight, g/mol:

888.432465

ΔHf, kcal/mol:

-63.92

Dipole, Da:

8.36

IP(EA), eV:

 -8.2(-1.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-3-[5-[5-[4-[bis(9,9-dibutylfluoren-2-yl)amino]phenyl]thiophen-2-yl]furan-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)/C=C/5\C(=O)N(/C(=C/6\C(=O)N(C(=S)S6)CC)/S5)CC(=O)O)C7=CC8=C(C=C7)C9=CC=CC=C9C8(CCCC)CCCC)CCCC

DOS

IR

Vibrations