Geometry & MOs

Info

ID:

162857

PubChem CID:

57578122

Reduced:

SN3O6H45C51 (1)

Stoich.:

AB3C6D45E51 (1)

Weight, g/mol:

809.408893

ΔHf, kcal/mol:

-74.78

Dipole, Da:

9.88

IP(EA), eV:

 -8.35(-1.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9,9-dibutyl-N-(9,9-dibutylfluoren-2-yl)-N-[4-(5-thiophen-2-ylthiophen-2-yl)phenyl]fluoren-2-amine

Drug info:

PubChemData

Smile

CCC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)/C=C\5/C(=NN(C5=O)C6=CC=C(C=C6)S(=O)(=O)O)C(=O)O)C7=CC8=C(C=C7)C9=CC=CC=C9C8(CC)CC)CC

DOS

IR

Vibrations