Geometry & MOs

Info

ID:	51383
PubChem CID:	12014040
Reduced:	SO2C48H58 (1)
Stoich.:	AB2C48D58 (1)
Weight, g/mol:	850.478353
ΔH_f, kcal/mol:	-50.07
Dipole, Da:	0.94
IP(EA), eV:	-8.76(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,6S)-5,6-dioctoxy-1,3-bis[4-(2-phenylphenyl)phenyl]-4,5,6,7-tetrahydro-2-benzothiophene

Drug info:

PubChemData

Smile

CCCCCCCCO[C@H]1CC2=C(SC(=C2C[C@@H]1OCCCCCCCC)C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=C(C=C5)C6=CC=CC=C6

DOS

IR

Vibrations