Geometry & MOs

Info

ID:	377156
PubChem CID:	134223194
Reduced:	OF6C13H16 (1)
Stoich.:	AB6C13D16 (1)
Weight, g/mol:	838.272794
ΔH_f, kcal/mol:	-352.35
Dipole, Da:	4.59
IP(EA), eV:	-9.87(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-diphenylphenyl)-8-[(3Z)-4-[5-(3,5-diphenylphenyl)-3-methyl-1-benzothiophen-2-yl]buta-1,3-dien-2-yl]dibenzothiophene

Drug info:

PubChemData

Smile

C1[C@H]2C=CC1CC2CCCC(C(F)(F)F)(C(F)(F)F)O

DOS

IR

Vibrations