Geometry & MOs

Info

ID:

162860

PubChem CID:

57578134

Reduced:

SN2O2H36C46 (1)

Stoich.:

AB2C2D36E46 (1)

Weight, g/mol:

860.43755

ΔHf, kcal/mol:

127.48

Dipole, Da:

5.89

IP(EA), eV:

 -7.95(-1.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-3-[5-[6-[bis(9,9-dibutylfluoren-2-yl)amino]-1H-inden-2-yl]thiophen-2-yl]-2-cyanoprop-2-enoic acid

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)/C=C/C5=CC=C(S5)/C=C(/C(=O)O)\[N+]#[C-])C6=CC7=C(C=C6)C8=CC=CC=C8C7(C)C)C

DOS

IR

Vibrations