Geometry & MOs

Info

ID:

441738

PubChem CID:

135242794

Reduced:

NSH28C31 (2)

Stoich.:

ABC28D31 (2)

Weight, g/mol:

868.018514

ΔHf, kcal/mol:

175.51

Dipole, Da:

2.16

IP(EA), eV:

 -7.99(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6,18-bis[(E)-2-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]ethenyl]-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene

Drug info:

PubChemData

Smile

CCCCCCCCN1C2=CC=CC=C2C3=C1C4=C(C=C3C#CC5=CC6=C(C=CC7=C6SC8=CC=CC=C78)C9=C5C1=CC=CC=C1N9CCCCCCCC)C1=C(C=C4)C2=CC=CC=C2S1

DOS

IR

Vibrations