Geometry & MOs

Info

ID:	233534
PubChem CID:	91145351
Reduced:	ON2C12H16 (1)
Stoich.:	AB2C12D16 (1)
Weight, g/mol:	538.091736
ΔH_f, kcal/mol:	40.57
Dipole, Da:	3.1
IP(EA), eV:	-8.52(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4,8-bis(prop-1-ynyl)thieno[2,3-f][1]benzothiol-2-yl]butan-2-yl]-4,8-dimethylthieno[2,3-f][1]benzothiole

Drug info:

PubChemData

Smile

C#CCC1=CC2(CN3CCC2CC3)ON1

DOS

IR

Vibrations