Geometry & MOs

Info

ID:

441754

PubChem CID:

135243430

Reduced:

O3H10C12 (2)

Stoich.:

A3B10C12 (2)

Weight, g/mol:

613.193164

ΔHf, kcal/mol:

-97.15

Dipole, Da:

7.73

IP(EA), eV:

 -8.94(-1.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-(5-methylthiophen-2-yl)-6-(5-octylthiophen-2-yl)-3-thia-15-azahexacyclo[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

CC(C)COC(=O)C1=CC=CC=C1C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)OO

DOS

IR

Vibrations