Geometry & MOs

Info

ID:

449477

PubChem CID:

135298932

Reduced:

N3O5C48H55 (1)

Stoich.:

A3B5C48D55 (1)

Weight, g/mol:

532.135314

ΔHf, kcal/mol:

-125.16

Dipole, Da:

5.21

IP(EA), eV:

 -8.35(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(5-methylthiophen-2-yl)-3-[5-phenyl-2-(4-propan-2-ylphenyl)phenyl]-5-thiophen-2-ylthiophene

Drug info:

PubChemData

Smile

C[C@]12CCC3C(C1CC[C@@H]2C4(OCCO4)C)CCC5=C/C(=N/OC[C@H](C6=CC7=CC=CC=C7N6)NC(=O)OCC8C9=CC=CC=C9C1=CC=CC=C81)/CC[C@]35C

DOS

IR

Vibrations